3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide

C12H18N2OS — CID 120828095

IUPAC3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
SMILESCNC(C)CNC(=O)c1sccc1C1CC1
InChIInChI=1S/C12H18N2OS/c1-8(13-2)7-14-12(15)11-10(5-6-16-11)9-3-4-9/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyUZSXXDMXZYLLNC-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.96
Rot. Bonds5

About 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide

3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide (PubChem CID 120828095) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
PubChem CID120828095
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
SMILESCNC(C)CNC(=O)c1sccc1C1CC1
InChIInChI=1S/C12H18N2OS/c1-8(13-2)7-14-12(15)11-10(5-6-16-11)9-3-4-9/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyUZSXXDMXZYLLNC-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
3-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 95139013
N-(2-aminoethyl)-3-cyclopropylthiophene-2-carboxamide;hydrochloride
CID 119383881
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811281
3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 166195680
3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 71936542
3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 94215253
3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 94817248
3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 56546466
(2R)-1-[3-[(3-cyclopropylthiophene-2-carbonyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95339617
2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride
CID 120831609

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide (CID 120828095) is 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide is CNC(C)CNC(=O)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide?
The InChIKey is UZSXXDMXZYLLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(13-2)7-14-12(15)11-10(5-6-16-11)9-3-4-9/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 120828095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).