[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol

C12H25NOS — CID 107764767

IUPAC[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
SMILESCNC1(CO)CCC(SC(C)C(C)C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)10(3)15-11-5-6-12(7-11,8-14)13-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyXRRGLZVUERQKFS-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds5

About [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol

[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol (PubChem CID 107764767) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
PubChem CID107764767
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
SMILESCNC1(CO)CCC(SC(C)C(C)C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)10(3)15-11-5-6-12(7-11,8-14)13-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyXRRGLZVUERQKFS-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol 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

[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79644808
[1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclopentyl]methanol
CID 79656680
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
[1-(methylamino)-3-[methyl(pentan-2-yl)amino]cyclopentyl]methanol
CID 79656781
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
CID 79647631
[3-methyl-1-(methylamino)cyclobutyl]methanol;hydrochloride
CID 155895170
[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640947
[3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79646760

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol (CID 107764767) is [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol is CNC1(CO)CCC(SC(C)C(C)C)C1.
What is the InChIKey of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol?
The InChIKey is XRRGLZVUERQKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)10(3)15-11-5-6-12(7-11,8-14)13-4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol?
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol is sourced from PubChem (CID 107764767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).