[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol

C12H23NOS — CID 79646566

IUPAC[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(SC2CCCC2)C1
InChIInChI=1S/C12H23NOS/c1-13-12(9-14)7-6-11(8-12)15-10-4-2-3-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyIPGMLJWUYGPUNF-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.17
Rot. Bonds4

About [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol

[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol (PubChem CID 79646566) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
PubChem CID79646566
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(SC2CCCC2)C1
InChIInChI=1S/C12H23NOS/c1-13-12(9-14)7-6-11(8-12)15-10-4-2-3-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyIPGMLJWUYGPUNF-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79644808
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
CID 107764767
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640132
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
CID 79647631
[3-methyl-1-(methylamino)cyclobutyl]methanol;hydrochloride
CID 155895170

Frequently Asked Questions

What is the IUPAC name of [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol (CID 79646566) is [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(SC2CCCC2)C1.
What is the InChIKey of [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol?
The InChIKey is IPGMLJWUYGPUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-13-12(9-14)7-6-11(8-12)15-10-4-2-3-5-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol?
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol has a molecular weight of 229.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79646566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).