1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide

C16H34N2O2S — CID 106077363

IUPAC1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H34N2O2S/c1-7-8-17-11-13(2)21(19,20)18-14-9-15(3,4)12-16(5,6)10-14/h13-14,17-18H,7-12H2,1-6H3
InChIKeyZHPYNZLVOYHOKK-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.90
Rot. Bonds7

About 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide

1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide (PubChem CID 106077363) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
PubChem CID106077363
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H34N2O2S/c1-7-8-17-11-13(2)21(19,20)18-14-9-15(3,4)12-16(5,6)10-14/h13-14,17-18H,7-12H2,1-6H3
InChIKeyZHPYNZLVOYHOKK-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclohexyl-1-methylethyl)amino]-N,N-dimethylethanesulfonamide
CID 56701976
1-Propanesulfonic acid, 3-[(3,3,5-trimethylcyclohexyl)amino]-
CID 11459723
N-[[1,3,3-trimethyl-5-(octylsulfonylamino)cyclohexyl]methyl]octane-1-sulfonamide
CID 20789883
N-[[5-(butylsulfonylamino)-1,3,3-trimethylcyclohexyl]methyl]butane-1-sulfonamide
CID 20789909
N-[[5-(hexylsulfonylamino)-1,3,3-trimethylcyclohexyl]methyl]hexane-1-sulfonamide
CID 20789910
8-(Cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)
CID 23689803
5-Cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide
CID 57100682
5-Cyclohexyl-3-(4-methylpentylamino)pentane-1-sulfonamide
CID 57222810
N-(cyclohexylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide
CID 58821342
(3R)-6-(1,1-dioxo-2-propan-2-ylthiazinan-6-yl)-2,2-dimethylhexan-3-amine
CID 68324220
2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide
CID 70841754
N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939050

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
The IUPAC name of 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide (CID 106077363) is 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
The canonical SMILES for 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
The InChIKey is ZHPYNZLVOYHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-7-8-17-11-13(2)21(19,20)18-14-9-15(3,4)12-16(5,6)10-14/h13-14,17-18H,7-12H2,1-6H3.
What are the key properties of 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide has a molecular weight of 318.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 106077363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).