[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol

C13H27NOS — CID 107764753

IUPAC[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(SC(C)C(C)C)C1
InChIInChI=1S/C13H27NOS/c1-10(2)11(3)16-12-6-5-7-13(8-12,9-15)14-4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyCFEVPFPSEGXEQM-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.66
Rot. Bonds5

About [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol

[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol (PubChem CID 107764753) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
PubChem CID107764753
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(SC(C)C(C)C)C1
InChIInChI=1S/C13H27NOS/c1-10(2)11(3)16-12-6-5-7-13(8-12,9-15)14-4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyCFEVPFPSEGXEQM-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
CID 107764767
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640947
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79644808
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol
CID 79640071

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol (CID 107764753) is [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol is CNC1(CO)CCCC(SC(C)C(C)C)C1.
What is the InChIKey of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol?
The InChIKey is CFEVPFPSEGXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-10(2)11(3)16-12-6-5-7-13(8-12,9-15)14-4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol?
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol has a molecular weight of 245.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol is sourced from PubChem (CID 107764753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).