1-(cyclopentylmethylsulfanyl)propan-2-ol

C9H18OS — CID 63119780

IUPAC1-(cyclopentylmethylsulfanyl)propan-2-ol
SMILESCC(O)CSCC1CCCC1
InChIInChI=1S/C9H18OS/c1-8(10)6-11-7-9-4-2-3-5-9/h8-10H,2-7H2,1H3
InChIKeyCNUVMSOFSWAAMN-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.29
Rot. Bonds4

About 1-(cyclopentylmethylsulfanyl)propan-2-ol

1-(cyclopentylmethylsulfanyl)propan-2-ol (PubChem CID 63119780) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfanyl)propan-2-ol
PubChem CID63119780
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name1-(cyclopentylmethylsulfanyl)propan-2-ol
SMILESCC(O)CSCC1CCCC1
InChIInChI=1S/C9H18OS/c1-8(10)6-11-7-9-4-2-3-5-9/h8-10H,2-7H2,1H3
InChIKeyCNUVMSOFSWAAMN-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethylsulfanyl)-2-methylpropan-1-ol
CID 66104453
1-butoxy-3-(cyclopentylmethylsulfanyl)propan-2-ol
CID 107264112
ethyl 3-(cyclopentylmethylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63120109
(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid
CID 107774767
(2S)-2-amino-3-(cyclobutylmethylsulfanyl)propanoic acid
CID 107773580
1,13-bis(cyclohexylmethylsulfanyl)-2,12-dihydroxytridecan-7-one
CID 178079224
1-(cyclopentylmethylsulfanyl)-N-propylpentan-2-amine
CID 64627212
2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropanoic acid
CID 80997496
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfanyl)propan-2-ol?
The IUPAC name of 1-(cyclopentylmethylsulfanyl)propan-2-ol (CID 63119780) is 1-(cyclopentylmethylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylmethylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(cyclopentylmethylsulfanyl)propan-2-ol is CC(O)CSCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethylsulfanyl)propan-2-ol?
The InChIKey is CNUVMSOFSWAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(10)6-11-7-9-4-2-3-5-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-(cyclopentylmethylsulfanyl)propan-2-ol?
1-(cyclopentylmethylsulfanyl)propan-2-ol has a molecular weight of 174.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfanyl)propan-2-ol is sourced from PubChem (CID 63119780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).