N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide

C9H13NOS2 — CID 112697982

IUPACN-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
SMILESCSCCN(C)C(=O)c1cccs1
InChIInChI=1S/C9H13NOS2/c1-10(5-7-12-2)9(11)8-4-3-6-13-8/h3-4,6H,5,7H2,1-2H3
InChIKeyKQXOZSBGEDSHJH-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide

N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide (PubChem CID 112697982) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
PubChem CID112697982
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
SMILESCSCCN(C)C(=O)c1cccs1
InChIInChI=1S/C9H13NOS2/c1-10(5-7-12-2)9(11)8-4-3-6-13-8/h3-4,6H,5,7H2,1-2H3
InChIKeyKQXOZSBGEDSHJH-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
N,N-diethylthiophene-2-carboxamide
CID 962897
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
CID 112698072

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide (CID 112697982) is N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide is CSCCN(C)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide?
The InChIKey is KQXOZSBGEDSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-10(5-7-12-2)9(11)8-4-3-6-13-8/h3-4,6H,5,7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide has a molecular weight of 215.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 112697982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).