2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide

C11H14N4O2S — CID 62159326

IUPAC2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
SMILESN#CCCN(C1CC1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H14N4O2S/c12-6-2-8-15(9-4-5-9)18(16,17)10-3-1-7-14-11(10)13/h1,3,7,9H,2,4-5,8H2,(H2,13,14)
InChIKeyITQNSLQSZYLVKN-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide

2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 62159326) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
PubChem CID62159326
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
SMILESN#CCCN(C1CC1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H14N4O2S/c12-6-2-8-15(9-4-5-9)18(16,17)10-3-1-7-14-11(10)13/h1,3,7,9H,2,4-5,8H2,(H2,13,14)
InChIKeyITQNSLQSZYLVKN-UHFFFAOYSA-N
XLogP0.73
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2120285
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide (CID 62159326) is 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide is N#CCCN(C1CC1)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is ITQNSLQSZYLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-6-2-8-15(9-4-5-9)18(16,17)10-3-1-7-14-11(10)13/h1,3,7,9H,2,4-5,8H2,(H2,13,14).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 62159326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).