N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide

C13H19NO2S — CID 55082075

IUPACN-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CCCCC2)s1
InChIInChI=1S/C13H19NO2S/c1-10-5-6-11(17-10)12(16)14-13(9-15)7-3-2-4-8-13/h5-6,15H,2-4,7-9H2,1H3,(H,14,16)
InChIKeyPXRWYCMNWYOUGB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide (PubChem CID 55082075) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
PubChem CID55082075
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CCCCC2)s1
InChIInChI=1S/C13H19NO2S/c1-10-5-6-11(17-10)12(16)14-13(9-15)7-3-2-4-8-13/h5-6,15H,2-4,7-9H2,1H3,(H,14,16)
InChIKeyPXRWYCMNWYOUGB-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-N-[1-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 62525158
N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
CID 55082053
N-[4-(bromomethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 106300887
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304
N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103881158
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide (CID 55082075) is N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2(CO)CCCCC2)s1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide?
The InChIKey is PXRWYCMNWYOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-5-6-11(17-10)12(16)14-13(9-15)7-3-2-4-8-13/h5-6,15H,2-4,7-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55082075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).