4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide

C8H14N2O4S3 — CID 79850156

IUPAC4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C8H14N2O4S3/c1-10(3-4-16(2,11)12)17(13,14)8-5-7(9)6-15-8/h5-6H,3-4,9H2,1-2H3
InChIKeyYBSRBWDPOOXVBP-UHFFFAOYSA-N
MW298.41 g/mol
LogP-0.00
Rot. Bonds5

About 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide

4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide (PubChem CID 79850156) has the molecular formula C8H14N2O4S3 and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
PubChem CID79850156
Molecular FormulaC8H14N2O4S3
Molecular Weight298.41 g/mol
Exact Mass298.01
IUPAC Name4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C8H14N2O4S3/c1-10(3-4-16(2,11)12)17(13,14)8-5-7(9)6-15-8/h5-6H,3-4,9H2,1-2H3
InChIKeyYBSRBWDPOOXVBP-UHFFFAOYSA-N
XLogP-0.00
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 54982582
4-amino-N,N-dibutylthiophene-2-sulfonamide
CID 61301508
5-methylsulfonylthiophen-3-amine
CID 83482061
4-amino-N,N-bis(2-methoxyethyl)thiophene-2-sulfonamide
CID 61300165
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61299810

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide (CID 79850156) is 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide?
The InChIKey is YBSRBWDPOOXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S3/c1-10(3-4-16(2,11)12)17(13,14)8-5-7(9)6-15-8/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide?
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79850156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).