3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide

C11H17NO2S2 — CID 71847384

IUPAC3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCC(C)S(C)=O
InChIInChI=1S/C11H17NO2S2/c1-8-5-7-15-10(8)11(13)12-6-4-9(2)16(3)14/h5,7,9H,4,6H2,1-3H3,(H,12,13)
InChIKeyHETLPMMDMNMWSQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.94
Rot. Bonds5

About 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide

3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide (PubChem CID 71847384) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
PubChem CID71847384
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCC(C)S(C)=O
InChIInChI=1S/C11H17NO2S2/c1-8-5-7-15-10(8)11(13)12-6-4-9(2)16(3)14/h5,7,9H,4,6H2,1-3H3,(H,12,13)
InChIKeyHETLPMMDMNMWSQ-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 115729394
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
CID 115735985
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
CID 113262853
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
2-[(3-methylthiophene-2-carbonyl)amino]ethyl nitrate
CID 23367112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide (CID 71847384) is 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NCCC(C)S(C)=O.
What is the InChIKey of 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
The InChIKey is HETLPMMDMNMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-8-5-7-15-10(8)11(13)12-6-4-9(2)16(3)14/h5,7,9H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide has a molecular weight of 259.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 71847384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).