N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid

C60H94N8O11S2 — CID 159239717

About N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid

N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid (PubChem CID 159239717) has the molecular formula C60H94N8O11S2 and a molecular weight of 1167.59 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid
• PubChem CID: 159239717
• Molecular Formula: C60H94N8O11S2
• Molecular Weight: 1167.59 g/mol
• Exact Mass: 1166.65
• IUPAC Name: N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid
• SMILES: CNCCC1CCC(c2cccnc2)(N(C)C)CC1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)CCC2CCC(c3cccnc3)(N(C)C)CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)O)c(C)c1
• InChI: InChI=1S/C30H46N4O5S.C16H27N3.C14H21NO6S/c1-23-19-27(38-7)20-24(2)29(23)40(36,37)34(6)17-18-39-22-28(35)33(5)16-12-25-10-13-30(14-11-25,32(3)4)26-9-8-15-31-21-26;1-17-12-8-14-6-9-16(10-7-14,19(2)3)15-5-4-11-18-13-15;1-10-7-12(20-4)8-11(2)14(10)22(18,19)15(3)5-6-21-9-13(16)17/h8-9,15,19-21,25H,10-14,16-18,22H2,1-7H3;4-5,11,13-14,17H,6-10,12H2,1-3H3;7-8H,5-6,9H2,1-4H3,(H,16,17)
• InChIKey: KTXSFJHQVPVXKW-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 213.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.59
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid?

The IUPAC name of N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid (CID 159239717) is N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid.

What is the SMILES notation for N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid?

The canonical SMILES for N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid is CNCCC1CCC(c2cccnc2)(N(C)C)CC1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)CCC2CCC(c3cccnc3)(N(C)C)CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)O)c(C)c1.

What is the InChIKey of N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid?

The InChIKey is KTXSFJHQVPVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O5S.C16H27N3.C14H21NO6S/c1-23-19-27(38-7)20-24(2)29(23)40(36,37)34(6)17-18-39-22-28(35)33(5)16-12-25-10-13-30(14-11-25,32(3)4)26-9-8-15-31-21-26;1-17-12-8-14-6-9-16(10-7-14,19(2)3)15-5-4-11-18-13-15;1-10-7-12(20-4)8-11(2)14(10)22(18,19)15(3)5-6-21-9-13(16)17/h8-9,15,19-21,25H,10-14,16-18,22H2,1-7H3;4-5,11,13-14,17H,6-10,12H2,1-3H3;7-8H,5-6,9H2,1-4H3,(H,16,17).

What are the key properties of N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid?

N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid has a molecular weight of 1167.59 g/mol, XLogP of 7.51, 26 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid is sourced from PubChem (CID 159239717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).