2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide

C11H13N5O2S — CID 65427998

IUPAC2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H13N5O2S/c12-5-2-8-16(9-3-6-13)19(17,18)10-4-1-7-15-11(10)14/h1,4,7H,2-3,8-9H2,(H2,14,15)
InChIKeyGTRILIIIXQRGEF-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.48
Rot. Bonds6

About 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide

2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide (PubChem CID 65427998) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
PubChem CID65427998
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H13N5O2S/c12-5-2-8-16(9-3-6-13)19(17,18)10-4-1-7-15-11(10)14/h1,4,7H,2-3,8-9H2,(H2,14,15)
InChIKeyGTRILIIIXQRGEF-UHFFFAOYSA-N
XLogP0.48
TPSA123.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide (CID 65427998) is 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide is N#CCCN(CCC#N)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide?
The InChIKey is GTRILIIIXQRGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-5-2-8-16(9-3-6-13)19(17,18)10-4-1-7-15-11(10)14/h1,4,7H,2-3,8-9H2,(H2,14,15).
What are the key properties of 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide?
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 65427998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).