N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide

C10H12N2O3S2 — CID 146092140

IUPACN-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NS(=O)(=O)CCCC#N)c1
InChIInChI=1S/C10H12N2O3S2/c1-8-6-9(16-7-8)10(13)12-17(14,15)5-3-2-4-11/h6-7H,2-3,5H2,1H3,(H,12,13)
InChIKeyWLIWOOCXQUFMMT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.42
Rot. Bonds5

About N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide

N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide (PubChem CID 146092140) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide
PubChem CID146092140
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC NameN-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NS(=O)(=O)CCCC#N)c1
InChIInChI=1S/C10H12N2O3S2/c1-8-6-9(16-7-8)10(13)12-17(14,15)5-3-2-4-11/h6-7H,2-3,5H2,1H3,(H,12,13)
InChIKeyWLIWOOCXQUFMMT-UHFFFAOYSA-N
XLogP1.42
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
3-Sulfamoylthiophene-2-carboxamide
CID 18331866
4-Methylthiophene-2-carboxamide
CID 2795529
N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
CID 47233291
N-(3-cyanophenyl)sulfonyl-3-methylsulfanylthiophene-2-carboxamide
CID 53611046
N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylthiophene-2-carboxamide
CID 145980149
5-Methyl-2-methylthiothiophene-3-carboxamide
CID 678409
5-Ethyl-2-(ethylsulfanyl)thiophene-3-carboxamide
CID 689992
4-(Diethylsulfamoyl)thiophene-2-carboxamide
CID 1087753
4-[Bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide
CID 20900822
4-[Butyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 20900829
4-(Ethylsulfamoyl)thiophene-2-carboxamide
CID 20937282

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide (CID 146092140) is N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NS(=O)(=O)CCCC#N)c1.
What is the InChIKey of N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide?
The InChIKey is WLIWOOCXQUFMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-8-6-9(16-7-8)10(13)12-17(14,15)5-3-2-4-11/h6-7H,2-3,5H2,1H3,(H,12,13).
What are the key properties of N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide?
N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropylsulfonyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 146092140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).