2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide

C8H13N3O3S2 — CID 61301123

IUPAC2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C8H13N3O3S2/c1-10-7(12)4-11(2)16(13,14)8-3-6(9)5-15-8/h3,5H,4,9H2,1-2H3,(H,10,12)
InChIKeyMYQZWXCJQPKZNA-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.30
Rot. Bonds4

About 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide

2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 61301123) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID61301123
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C8H13N3O3S2/c1-10-7(12)4-11(2)16(13,14)8-3-6(9)5-15-8/h3,5H,4,9H2,1-2H3,(H,10,12)
InChIKeyMYQZWXCJQPKZNA-UHFFFAOYSA-N
XLogP-0.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61299810
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
CID 114165998
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide (CID 61301123) is 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is MYQZWXCJQPKZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-10-7(12)4-11(2)16(13,14)8-3-6(9)5-15-8/h3,5H,4,9H2,1-2H3,(H,10,12).
What are the key properties of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide?
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 263.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 61301123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).