N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C13H18N2O3S — CID 115878434

IUPACN-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H18N2O3S/c1-9(14-12(18)10-4-2-7-19-10)11(17)15-13(8-16)5-3-6-13/h2,4,7,9,16H,3,5-6,8H2,1H3,(H,14,18)(H,15,17)
InChIKeyTWIGLIABCSRRSR-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.90
Rot. Bonds5

About N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 115878434) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID115878434
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H18N2O3S/c1-9(14-12(18)10-4-2-7-19-10)11(17)15-13(8-16)5-3-6-13/h2,4,7,9,16H,3,5-6,8H2,1H3,(H,14,18)(H,15,17)
InChIKeyTWIGLIABCSRRSR-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119521422
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43388110
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 115878434) is N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NC1(CO)CCC1.
What is the InChIKey of N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is TWIGLIABCSRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(14-12(18)10-4-2-7-19-10)11(17)15-13(8-16)5-3-6-13/h2,4,7,9,16H,3,5-6,8H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 115878434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).