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

C13H25NOS — CID 79644808

IUPAC[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(SCC2CCCC2)C1
InChIInChI=1S/C13H25NOS/c1-14-13(10-15)7-6-12(8-13)16-9-11-4-2-3-5-11/h11-12,14-15H,2-10H2,1H3
InChIKeyBKNIEZZRHUTDDY-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds5

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

[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol (PubChem CID 79644808) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
PubChem CID79644808
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(SCC2CCCC2)C1
InChIInChI=1S/C13H25NOS/c1-14-13(10-15)7-6-12(8-13)16-9-11-4-2-3-5-11/h11-12,14-15H,2-10H2,1H3
InChIKeyBKNIEZZRHUTDDY-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol
CID 79645555
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
CID 107764767
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
CID 79647631
[3-methyl-1-(methylamino)cyclobutyl]methanol;hydrochloride
CID 155895170
[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640843

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol (CID 79644808) is [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(SCC2CCCC2)C1.
What is the InChIKey of [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
The InChIKey is BKNIEZZRHUTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-14-13(10-15)7-6-12(8-13)16-9-11-4-2-3-5-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79644808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).