[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol

C14H27NOS — CID 79645546

IUPAC[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
SMILESCNC1(CO)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C14H27NOS/c1-11-4-3-5-12(8-11)17-13-6-7-14(9-13,10-16)15-2/h11-13,15-16H,3-10H2,1-2H3
InChIKeyUHKLCNWSQXWNKQ-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.80
Rot. Bonds4

About [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol

[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol (PubChem CID 79645546) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
PubChem CID79645546
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
SMILESCNC1(CO)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C14H27NOS/c1-11-4-3-5-12(8-11)17-13-6-7-14(9-13,10-16)15-2/h11-13,15-16H,3-10H2,1-2H3
InChIKeyUHKLCNWSQXWNKQ-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
CID 79640996
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79654195
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79644808
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
[3-methyl-1-(methylamino)cyclobutyl]methanol;hydrochloride
CID 155895170
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79633898
3-(3-methylcyclohexyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634839
ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79653723
1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
CID 107764767

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol (CID 79645546) is [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol is CNC1(CO)CCC(SC2CCCC(C)C2)C1.
What is the InChIKey of [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol?
The InChIKey is UHKLCNWSQXWNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11-4-3-5-12(8-11)17-13-6-7-14(9-13,10-16)15-2/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol?
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol has a molecular weight of 257.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol is sourced from PubChem (CID 79645546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).