3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol

C12H25NOS — CID 79852757

IUPAC3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC1CCCC(C)(C)C1N
InChIInChI=1S/C12H25NOS/c1-9(7-14)8-15-10-5-4-6-12(2,3)11(10)13/h9-11,14H,4-8,13H2,1-3H3
InChIKeyVQJDKTNPVCPSNO-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.25
Rot. Bonds4

About 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol

3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 79852757) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol
PubChem CID79852757
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC1CCCC(C)(C)C1N
InChIInChI=1S/C12H25NOS/c1-9(7-14)8-15-10-5-4-6-12(2,3)11(10)13/h9-11,14H,4-8,13H2,1-3H3
InChIKeyVQJDKTNPVCPSNO-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol 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

3-(2-amino-3,3-dimethylcyclohexyl)sulfanylpropane-1,2-diol
CID 79852406
3-[3,3-dimethyl-2-(methylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 79852844
3-[3,3-dimethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 79852758
3-[5,5-dimethyl-2-(methylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66105669
3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 66104136
3-(2-amino-5-propylcyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 66103925
2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
CID 79902946
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol
CID 66104792
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
2-(3-hydroxy-2-methylpropyl)sulfanyl-4-methylcyclohexane-1-carboxylic acid
CID 66104555
(2S)-2-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79857329

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol (CID 79852757) is 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol is CC(CO)CSC1CCCC(C)(C)C1N.
What is the InChIKey of 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is VQJDKTNPVCPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(7-14)8-15-10-5-4-6-12(2,3)11(10)13/h9-11,14H,4-8,13H2,1-3H3.
What are the key properties of 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol?
3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 79852757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).