3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide

C12H25NO3S — CID 114134664

IUPAC3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)CCCO)CC1
InChIInChI=1S/C12H25NO3S/c1-2-4-11-5-7-12(8-6-11)13-17(15,16)10-3-9-14/h11-14H,2-10H2,1H3
InChIKeyBREJMXQPKMWEDN-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.65
Rot. Bonds7

About 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide

3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide (PubChem CID 114134664) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide
PubChem CID114134664
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)CCCO)CC1
InChIInChI=1S/C12H25NO3S/c1-2-4-11-5-7-12(8-6-11)13-17(15,16)10-3-9-14/h11-14H,2-10H2,1H3
InChIKeyBREJMXQPKMWEDN-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(4-propylcyclohexyl)ethanesulfonamide
CID 106054472
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
N-cyclopropylhexane-1-sulfonamide
CID 67119181
4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
CID 112746927
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 63290314
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
CID 112690080
2-(cyclopropylamino)-N-(4-ethylcyclohexyl)ethanesulfonamide
CID 106053036
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
6-bromo-N-cyclopropylhexane-1-sulfonamide
CID 22111560

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide (CID 114134664) is 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide is CCCC1CCC(NS(=O)(=O)CCCO)CC1.
What is the InChIKey of 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide?
The InChIKey is BREJMXQPKMWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-4-11-5-7-12(8-6-11)13-17(15,16)10-3-9-14/h11-14H,2-10H2,1H3.
What are the key properties of 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide?
3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 114134664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).