2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide

C9H15N3O3S2 — CID 106266251

IUPAC2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H15N3O3S2/c1-6(9(13)11-2)12-17(14,15)8-4-3-7(5-10)16-8/h3-4,6,12H,5,10H2,1-2H3,(H,11,13)
InChIKeyNANQUISPGKLAQF-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.38
Rot. Bonds5

About 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide

2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide (PubChem CID 106266251) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide
PubChem CID106266251
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H15N3O3S2/c1-6(9(13)11-2)12-17(14,15)8-4-3-7(5-10)16-8/h3-4,6,12H,5,10H2,1-2H3,(H,11,13)
InChIKeyNANQUISPGKLAQF-UHFFFAOYSA-N
XLogP-0.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide (CID 106266251) is 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide?
The InChIKey is NANQUISPGKLAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6(9(13)11-2)12-17(14,15)8-4-3-7(5-10)16-8/h3-4,6,12H,5,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide?
2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 106266251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).