1-cyclopentyl-4-methylsulfanylbutan-2-ol

C10H20OS — CID 65148807

IUPAC1-cyclopentyl-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)CC1CCCC1
InChIInChI=1S/C10H20OS/c1-12-7-6-10(11)8-9-4-2-3-5-9/h9-11H,2-8H2,1H3
InChIKeyKADNOQMXRYOAQI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclopentyl-4-methylsulfanylbutan-2-ol

1-cyclopentyl-4-methylsulfanylbutan-2-ol (PubChem CID 65148807) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-methylsulfanylbutan-2-ol
PubChem CID65148807
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-cyclopentyl-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)CC1CCCC1
InChIInChI=1S/C10H20OS/c1-12-7-6-10(11)8-9-4-2-3-5-9/h9-11H,2-8H2,1H3
InChIKeyKADNOQMXRYOAQI-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-4-methylsulfanylbutan-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

1-cyclopentyl-4-ethylsulfanylbutan-2-ol
CID 116504666
1-cycloheptyl-3-methylsulfanylpropan-1-ol
CID 82928181
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol
CID 103090029
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
7-cyclopentyl-6-hydroxyheptan-3-one
CID 103159212
1-cycloheptylhept-5-yn-2-ol
CID 115833770
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylsulfanylbutan-2-ol?
The IUPAC name of 1-cyclopentyl-4-methylsulfanylbutan-2-ol (CID 65148807) is 1-cyclopentyl-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 1-cyclopentyl-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 1-cyclopentyl-4-methylsulfanylbutan-2-ol is CSCCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methylsulfanylbutan-2-ol?
The InChIKey is KADNOQMXRYOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-12-7-6-10(11)8-9-4-2-3-5-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-cyclopentyl-4-methylsulfanylbutan-2-ol?
1-cyclopentyl-4-methylsulfanylbutan-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 65148807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).