4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide

C13H19NO2S — CID 115151162

IUPAC4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccsc1NC(=O)C1CCC(CO)CC1
InChIInChI=1S/C13H19NO2S/c1-9-6-7-17-13(9)14-12(16)11-4-2-10(8-15)3-5-11/h6-7,10-11,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyXJCDBYSRIQIICQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.79
Rot. Bonds3

About 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide (PubChem CID 115151162) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
PubChem CID115151162
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccsc1NC(=O)C1CCC(CO)CC1
InChIInChI=1S/C13H19NO2S/c1-9-6-7-17-13(9)14-12(16)11-4-2-10(8-15)3-5-11/h6-7,10-11,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyXJCDBYSRIQIICQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide (CID 115151162) is 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide is Cc1ccsc1NC(=O)C1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
The InChIKey is XJCDBYSRIQIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-6-7-17-13(9)14-12(16)11-4-2-10(8-15)3-5-11/h6-7,10-11,15H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).