1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol

C13H22N2OS — CID 79752510

IUPAC1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)CSC1CCCCC1
InChIInChI=1S/C13H22N2OS/c1-15-8-7-14-13(15)9-11(16)10-17-12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3
InChIKeyDLSHLRVYKGQNEI-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol

1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 79752510) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID79752510
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)CSC1CCCCC1
InChIInChI=1S/C13H22N2OS/c1-15-8-7-14-13(15)9-11(16)10-17-12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3
InChIKeyDLSHLRVYKGQNEI-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370
1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79761950
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105113600
[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
CID 105227664
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol (CID 79752510) is 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol is Cn1ccnc1CC(O)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is DLSHLRVYKGQNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-15-8-7-14-13(15)9-11(16)10-17-12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol?
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 254.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79752510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).