1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide

C11H15NO2S — CID 115184040

IUPAC1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1cccs1)C1(CO)CCC1
InChIInChI=1S/C11H15NO2S/c13-8-11(4-2-5-11)10(14)12-7-9-3-1-6-15-9/h1,3,6,13H,2,4-5,7-8H2,(H,12,14)
InChIKeyJXDDDSYIIFIJSZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.53
Rot. Bonds4

About 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 115184040) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID115184040
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1cccs1)C1(CO)CCC1
InChIInChI=1S/C11H15NO2S/c13-8-11(4-2-5-11)10(14)12-7-9-3-1-6-15-9/h1,3,6,13H,2,4-5,7-8H2,(H,12,14)
InChIKeyJXDDDSYIIFIJSZ-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
3-(thiophen-2-ylmethylcarbamoyl)oxetane-3-carboxylic acid
CID 115184971
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184067
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide (CID 115184040) is 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1cccs1)C1(CO)CCC1.
What is the InChIKey of 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is JXDDDSYIIFIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-8-11(4-2-5-11)10(14)12-7-9-3-1-6-15-9/h1,3,6,13H,2,4-5,7-8H2,(H,12,14).
What are the key properties of 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115184040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).