[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol

C14H23NOS2 — CID 79640772

IUPAC[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(Sc2cccs2)C1
InChIInChI=1S/C14H23NOS2/c1-11(2)15-14(10-16)7-3-5-12(9-14)18-13-6-4-8-17-13/h4,6,8,11-12,15-16H,3,5,7,9-10H2,1-2H3
InChIKeyKHPNQCNMCHLSMP-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.51
Rot. Bonds5

About [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol

[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol (PubChem CID 79640772) has the molecular formula C14H23NOS2 and a molecular weight of 285.48 g/mol. Its IUPAC name is [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
PubChem CID79640772
Molecular FormulaC14H23NOS2
Molecular Weight285.48 g/mol
Exact Mass285.12
IUPAC Name[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(Sc2cccs2)C1
InChIInChI=1S/C14H23NOS2/c1-11(2)15-14(10-16)7-3-5-12(9-14)18-13-6-4-8-17-13/h4,6,8,11-12,15-16H,3,5,7,9-10H2,1-2H3
InChIKeyKHPNQCNMCHLSMP-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide
CID 79653438
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638793
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640132
[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646579
[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581651
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645806
1-(propylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxylic acid
CID 79653828
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
CID 79640217
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol (CID 79640772) is [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol is CC(C)NC1(CO)CCCC(Sc2cccs2)C1.
What is the InChIKey of [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol?
The InChIKey is KHPNQCNMCHLSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS2/c1-11(2)15-14(10-16)7-3-5-12(9-14)18-13-6-4-8-17-13/h4,6,8,11-12,15-16H,3,5,7,9-10H2,1-2H3.
What are the key properties of [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol?
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol has a molecular weight of 285.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol is sourced from PubChem (CID 79640772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).