2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol

C10H21NOS — CID 64735969

IUPAC2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol
SMILESCC1CC(C)C(SCCO)C(N)C1
InChIInChI=1S/C10H21NOS/c1-7-5-8(2)10(9(11)6-7)13-4-3-12/h7-10,12H,3-6,11H2,1-2H3
InChIKeyPMOBUUDCJBTGBA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.47
Rot. Bonds3

About 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol

2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol (PubChem CID 64735969) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol
PubChem CID64735969
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol
SMILESCC1CC(C)C(SCCO)C(N)C1
InChIInChI=1S/C10H21NOS/c1-7-5-8(2)10(9(11)6-7)13-4-3-12/h7-10,12H,3-6,11H2,1-2H3
InChIKeyPMOBUUDCJBTGBA-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol?
The IUPAC name of 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol (CID 64735969) is 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol.
What is the SMILES notation for 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol?
The canonical SMILES for 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol is CC1CC(C)C(SCCO)C(N)C1.
What is the InChIKey of 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol?
The InChIKey is PMOBUUDCJBTGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-7-5-8(2)10(9(11)6-7)13-4-3-12/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol?
2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol has a molecular weight of 203.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylcyclohexyl)sulfanylethanol is sourced from PubChem (CID 64735969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).