3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride

C16H32ClNO3S — CID 18966333

IUPAC3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride
SMILESCl.NC(CC1CCCCC1)C(O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H31NO3S.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)12-21(19,20)14-9-5-2-6-10-14;/h13-16,18H,1-12,17H2;1H
InChIKeyPFLKVCMESLMCQP-UHFFFAOYSA-N
MW353.96 g/mol
LogP2.81
Rot. Bonds6

About 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride

3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride (PubChem CID 18966333) has the molecular formula C16H32ClNO3S and a molecular weight of 353.96 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride
PubChem CID18966333
Molecular FormulaC16H32ClNO3S
Molecular Weight353.96 g/mol
Exact Mass353.18
IUPAC Name3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride
SMILESCl.NC(CC1CCCCC1)C(O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H31NO3S.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)12-21(19,20)14-9-5-2-6-10-14;/h13-16,18H,1-12,17H2;1H
InChIKeyPFLKVCMESLMCQP-UHFFFAOYSA-N
XLogP2.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.96
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride?
The IUPAC name of 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride (CID 18966333) is 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride is Cl.NC(CC1CCCCC1)C(O)CS(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride?
The InChIKey is PFLKVCMESLMCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3S.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)12-21(19,20)14-9-5-2-6-10-14;/h13-16,18H,1-12,17H2;1H.
What are the key properties of 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride?
3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride has a molecular weight of 353.96 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride is sourced from PubChem (CID 18966333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).