2-cyclohexylsulfonyl-N-propylpropan-1-amine

C12H25NO2S — CID 106512987

IUPAC2-cyclohexylsulfonyl-N-propylpropan-1-amine
SMILESCCCNCC(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-9-13-10-11(2)16(14,15)12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyRUBSOKNEAULGGM-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds6

About 2-cyclohexylsulfonyl-N-propylpropan-1-amine

2-cyclohexylsulfonyl-N-propylpropan-1-amine (PubChem CID 106512987) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-N-propylpropan-1-amine
PubChem CID106512987
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-cyclohexylsulfonyl-N-propylpropan-1-amine
SMILESCCCNCC(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-9-13-10-11(2)16(14,15)12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyRUBSOKNEAULGGM-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexylsulfonyl-N-propylpropan-1-amine 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-cyclopentylsulfonyl-N-propylpropan-1-amine
CID 106512803
2-cyclohexylsulfonyl-N-prop-2-enylpropan-1-amine
CID 106513032
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846
2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine
CID 106512841
1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol
CID 115476715
4-cyclohexylsulfonyl-N-methylpentan-2-amine
CID 64704594
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
CID 106069157
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
5,5-dimethylhexan-2-ylsulfonylcyclohexane
CID 158552545
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclohexylsulfonyl-N-propylpropan-1-amine (CID 106512987) is 2-cyclohexylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclohexylsulfonyl-N-propylpropan-1-amine is CCCNCC(C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-N-propylpropan-1-amine?
The InChIKey is RUBSOKNEAULGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-9-13-10-11(2)16(14,15)12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexylsulfonyl-N-propylpropan-1-amine?
2-cyclohexylsulfonyl-N-propylpropan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 106512987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).