N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide

C13H20N4O2S — CID 103305526

IUPACN-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C13H20N4O2S/c1-4-15-12-7-5-9-16-13(12)20(18,19)17(11(2)3)10-6-8-14/h5,7,9,11,15H,4,6,10H2,1-3H3
InChIKeyDEVUDLCFPWTCKA-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.83
Rot. Bonds7

About N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide

N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide (PubChem CID 103305526) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide
PubChem CID103305526
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C13H20N4O2S/c1-4-15-12-7-5-9-16-13(12)20(18,19)17(11(2)3)10-6-8-14/h5,7,9,11,15H,4,6,10H2,1-3H3
InChIKeyDEVUDLCFPWTCKA-UHFFFAOYSA-N
XLogP1.83
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103305242
N-ethyl-3-(ethylamino)-N-propylpyridine-2-sulfonamide
CID 103304413
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305564
N-cyclopropyl-3-(ethylamino)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305175
3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
CID 62465917
N-ethyl-N-(1-methoxypropan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305051
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
N-(3-cyanophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303922

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide (CID 103305526) is N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is DEVUDLCFPWTCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-4-15-12-7-5-9-16-13(12)20(18,19)17(11(2)3)10-6-8-14/h5,7,9,11,15H,4,6,10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide?
N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 103305526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).