N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide

C9H13ClN2OS — CID 119584872

IUPACN-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-6(5-11)12(2)9(13)7-3-4-8(10)14-7/h3-4,6H,5,11H2,1-2H3
InChIKeyKSNTXKZSWAWTGV-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.82
Rot. Bonds3

About N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide

N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide (PubChem CID 119584872) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
PubChem CID119584872
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC NameN-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-6(5-11)12(2)9(13)7-3-4-8(10)14-7/h3-4,6H,5,11H2,1-2H3
InChIKeyKSNTXKZSWAWTGV-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1244060
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N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
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CID 11990478
(5-Chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
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5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
N,N'-butane-1,4-diylbis(5-chlorothiophene-2-carboxamide)
CID 3100298
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
(5-Chlorothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467948
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
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5-chloro-N-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide (CID 119584872) is N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide is CC(CN)N(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
The InChIKey is KSNTXKZSWAWTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6(5-11)12(2)9(13)7-3-4-8(10)14-7/h3-4,6H,5,11H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide has a molecular weight of 232.74 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 119584872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).