[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol

C14H27NOS — CID 79640996

IUPAC[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
SMILESCC1CCCC(SC2CCCC(N)(CO)C2)C1
InChIInChI=1S/C14H27NOS/c1-11-4-2-5-12(8-11)17-13-6-3-7-14(15,9-13)10-16/h11-13,16H,2-10,15H2,1H3
InChIKeyVOFOLRDCKJFANN-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.93
Rot. Bonds3

About [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol

[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol (PubChem CID 79640996) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
PubChem CID79640996
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
SMILESCC1CCCC(SC2CCCC(N)(CO)C2)C1
InChIInChI=1S/C14H27NOS/c1-11-4-2-5-12(8-11)17-13-6-3-7-14(15,9-13)10-16/h11-13,16H,2-10,15H2,1H3
InChIKeyVOFOLRDCKJFANN-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79653723
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
1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
(1-amino-3-methylcyclopentyl)methanol
CID 64516223
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79654195
[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640365
[1-amino-3-(4-chlorophenyl)sulfanylcyclohexyl]methanol
CID 79640773
4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine
CID 64632027
1-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylic acid
CID 115000251

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol?
The IUPAC name of [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol (CID 79640996) is [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol is CC1CCCC(SC2CCCC(N)(CO)C2)C1.
What is the InChIKey of [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol?
The InChIKey is VOFOLRDCKJFANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11-4-2-5-12(8-11)17-13-6-3-7-14(15,9-13)10-16/h11-13,16H,2-10,15H2,1H3.
What are the key properties of [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol?
[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol has a molecular weight of 257.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol is sourced from PubChem (CID 79640996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).