1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide

C11H15NO2S — CID 115183976

IUPAC1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CO)CCC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-12(9-4-2-7-15-9)10(14)11(8-13)5-3-6-11/h2,4,7,13H,3,5-6,8H2,1H3
InChIKeySXPRZYJBXHYLQX-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.87
Rot. Bonds3

About 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide

1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide (PubChem CID 115183976) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
PubChem CID115183976
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CO)CCC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-12(9-4-2-7-15-9)10(14)11(8-13)5-3-6-11/h2,4,7,13H,3,5-6,8H2,1H3
InChIKeySXPRZYJBXHYLQX-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 115183979
N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183981
N-(2,4-difluorophenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184003
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951
N-methyl-4-oxo-N-thiophen-2-ylpentanamide
CID 115176753
2-methyl-4-[methyl(thiophen-2-yl)amino]-4-oxobutanoic acid
CID 115164997
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
2-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
CID 115140457

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide (CID 115183976) is 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide is CN(C(=O)C1(CO)CCC1)c1cccs1.
What is the InChIKey of 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide?
The InChIKey is SXPRZYJBXHYLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12(9-4-2-7-15-9)10(14)11(8-13)5-3-6-11/h2,4,7,13H,3,5-6,8H2,1H3.
What are the key properties of 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).