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

C18H37N3O3S — CID 70938726

IUPAC2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNCCCN2CCOCC2)CC1
InChIInChI=1S/C18H37N3O3S/c1-18(2,3)25(22,23)20-17-7-5-16(6-8-17)15-19-9-4-10-21-11-13-24-14-12-21/h16-17,19-20H,4-15H2,1-3H3
InChIKeyKWCOEGJJUNRDHV-UHFFFAOYSA-N
MW375.58 g/mol
LogP1.58
Rot. Bonds8

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

2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70938726) has the molecular formula C18H37N3O3S and a molecular weight of 375.58 g/mol. Its IUPAC name is 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70938726
Molecular FormulaC18H37N3O3S
Molecular Weight375.58 g/mol
Exact Mass375.26
IUPAC Name2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNCCCN2CCOCC2)CC1
InChIInChI=1S/C18H37N3O3S/c1-18(2,3)25(22,23)20-17-7-5-16(6-8-17)15-19-9-4-10-21-11-13-24-14-12-21/h16-17,19-20H,4-15H2,1-3H3
InChIKeyKWCOEGJJUNRDHV-UHFFFAOYSA-N
XLogP1.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 51.58
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

N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939760
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998
2-methyl-1-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 60886953
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939338
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
2-methyl-1-(4-morpholin-4-ylbutyl)-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111559781
4-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532798
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide (CID 70938726) is 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNCCCN2CCOCC2)CC1.
What is the InChIKey of 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is KWCOEGJJUNRDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3S/c1-18(2,3)25(22,23)20-17-7-5-16(6-8-17)15-19-9-4-10-21-11-13-24-14-12-21/h16-17,19-20H,4-15H2,1-3H3.
What are the key properties of 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide?
2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 375.58 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70938726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).