1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol

C11H23NOS — CID 64815274

IUPAC1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)SC1CCCC1
InChIInChI=1S/C11H23NOS/c1-9(7-11(2,13)8-12)14-10-5-3-4-6-10/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIAHAHFAVDWDPED-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.15
Rot. Bonds5

About 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol

1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol (PubChem CID 64815274) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
PubChem CID64815274
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)SC1CCCC1
InChIInChI=1S/C11H23NOS/c1-9(7-11(2,13)8-12)14-10-5-3-4-6-10/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIAHAHFAVDWDPED-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-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

2-amino-4-cyclohexylsulfanyl-2-methylpentanoic acid
CID 64712061
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol
CID 107764947
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64819128
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol
CID 64818883
1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol (CID 64815274) is 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol is CC(CC(C)(O)CN)SC1CCCC1.
What is the InChIKey of 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol?
The InChIKey is IAHAHFAVDWDPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(7-11(2,13)8-12)14-10-5-3-4-6-10/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol?
1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol is sourced from PubChem (CID 64815274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).