N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide

C17H35N3O3S — CID 70939760

IUPACN-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNCCCN2CCOCC2)CC1
InChIInChI=1S/C17H35N3O3S/c1-15(2)24(21,22)19-17-6-4-16(5-7-17)14-18-8-3-9-20-10-12-23-13-11-20/h15-19H,3-14H2,1-2H3
InChIKeyFFNUFFCEWBNUCN-UHFFFAOYSA-N
MW361.55 g/mol
LogP1.18
Rot. Bonds9

About N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70939760) has the molecular formula C17H35N3O3S and a molecular weight of 361.55 g/mol. Its IUPAC name is N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70939760
Molecular FormulaC17H35N3O3S
Molecular Weight361.55 g/mol
Exact Mass361.24
IUPAC NameN-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNCCCN2CCOCC2)CC1
InChIInChI=1S/C17H35N3O3S/c1-15(2)24(21,22)19-17-6-4-16(5-7-17)14-18-8-3-9-20-10-12-23-13-11-20/h15-19H,3-14H2,1-2H3
InChIKeyFFNUFFCEWBNUCN-UHFFFAOYSA-N
XLogP1.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.55
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938726
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053079
5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one
CID 58144963
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide (CID 70939760) is N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNCCCN2CCOCC2)CC1.
What is the InChIKey of N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is FFNUFFCEWBNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3S/c1-15(2)24(21,22)19-17-6-4-16(5-7-17)14-18-8-3-9-20-10-12-23-13-11-20/h15-19H,3-14H2,1-2H3.
What are the key properties of N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 361.55 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70939760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).