2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide

C9H15N3O3S2 — CID 114165998

IUPAC2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H15N3O3S2/c1-11-8(13)6-12(2)17(14,15)9-4-3-7(5-10)16-9/h3-4H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyXLYNLQPSMMVFDQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.43
Rot. Bonds5

About 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide

2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide (PubChem CID 114165998) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
PubChem CID114165998
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H15N3O3S2/c1-11-8(13)6-12(2)17(14,15)9-4-3-7(5-10)16-9/h3-4H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyXLYNLQPSMMVFDQ-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106266214
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 45299021
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide
CID 106266251
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide
CID 114613147
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
CID 55009501
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide (CID 114165998) is 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is XLYNLQPSMMVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-11-8(13)6-12(2)17(14,15)9-4-3-7(5-10)16-9/h3-4H,5-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide?
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 277.37 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 114165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).