[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol

C12H21N3OS — CID 79640071

IUPAC[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol
SMILESCNC1(CO)CCCC(Sc2nccn2C)C1
InChIInChI=1S/C12H21N3OS/c1-13-12(9-16)5-3-4-10(8-12)17-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3
InChIKeyAHSUSYCZDGWXIE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.41
Rot. Bonds4

About [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol

[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol (PubChem CID 79640071) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol
PubChem CID79640071
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol
SMILESCNC1(CO)CCCC(Sc2nccn2C)C1
InChIInChI=1S/C12H21N3OS/c1-13-12(9-16)5-3-4-10(8-12)17-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3
InChIKeyAHSUSYCZDGWXIE-UHFFFAOYSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol (CID 79640071) is [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol is CNC1(CO)CCCC(Sc2nccn2C)C1.
What is the InChIKey of [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol?
The InChIKey is AHSUSYCZDGWXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-13-12(9-16)5-3-4-10(8-12)17-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3.
What are the key properties of [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol?
[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol has a molecular weight of 255.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol is sourced from PubChem (CID 79640071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).