N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide

C8H13NO2S2 — CID 118913319

IUPACN-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide
SMILESCCc1sc(C)cc1NS(C)(=O)=O
InChIInChI=1S/C8H13NO2S2/c1-4-8-7(5-6(2)12-8)9-13(3,10)11/h5,9H,4H2,1-3H3
InChIKeyATEKCPFXZKBFHY-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.99
Rot. Bonds3

About N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide

N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide (PubChem CID 118913319) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide
PubChem CID118913319
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC NameN-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide
SMILESCCc1sc(C)cc1NS(C)(=O)=O
InChIInChI=1S/C8H13NO2S2/c1-4-8-7(5-6(2)12-8)9-13(3,10)11/h5,9H,4H2,1-3H3
InChIKeyATEKCPFXZKBFHY-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride
CID 67864245
ethyl 2-ethyl-5-methylthiophene-3-carboxylate
CID 134970605
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(2,5-dimethyl-4-pyridinyl)methanesulfonamide
CID 126987931
(3-ethyl-5-methylthiophen-2-yl)methanol
CID 130652443
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
N-(5-methylthiophen-3-yl)methanesulfonamide
CID 154470515
N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-(2,5-dimethylfuran-3-yl)methanesulfonamide
CID 91331085
N-(4-amino-2-ethoxyphenyl)methanesulfonamide
CID 95910456
5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
CID 82096774
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide?
The IUPAC name of N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide (CID 118913319) is N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide is CCc1sc(C)cc1NS(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide?
The InChIKey is ATEKCPFXZKBFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-4-8-7(5-6(2)12-8)9-13(3,10)11/h5,9H,4H2,1-3H3.
What are the key properties of N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide?
N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide has a molecular weight of 219.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylthiophen-3-yl)methanesulfonamide is sourced from PubChem (CID 118913319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).