(2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

C12H23NO2S — CID 143585502

IUPAC(2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1CC(C)CC[C@H]1CO
InChIInChI=1S/C12H23NO2S/c1-9-3-4-10(8-14)11(7-9)12(15)13-5-6-16-2/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11?/m0/s1
InChIKeySKHZRBVUVOOHKG-YVNMAJEFSA-N
MW245.39 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

(2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (PubChem CID 143585502) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
PubChem CID143585502
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1CC(C)CC[C@H]1CO
InChIInChI=1S/C12H23NO2S/c1-9-3-4-10(8-14)11(7-9)12(15)13-5-6-16-2/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11?/m0/s1
InChIKeySKHZRBVUVOOHKG-YVNMAJEFSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (CID 143585502) is (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is CSCCNC(=O)C1CC(C)CC[C@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The InChIKey is SKHZRBVUVOOHKG-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9-3-4-10(8-14)11(7-9)12(15)13-5-6-16-2/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11?/m0/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
(2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide has a molecular weight of 245.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-5-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 143585502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).