3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride

C10H14ClN3O2S — CID 166644076

IUPAC3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(N)CC#N)nc1.Cl
InChIInChI=1S/C10H13N3O2S.ClH/c1-2-16(14,15)8-3-4-10(13-7-8)9(12)5-6-11;/h3-4,7,9H,2,5,12H2,1H3;1H
InChIKeyDAKROFMGRNJPKV-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride

3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride (PubChem CID 166644076) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
PubChem CID166644076
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(N)CC#N)nc1.Cl
InChIInChI=1S/C10H13N3O2S.ClH/c1-2-16(14,15)8-3-4-10(13-7-8)9(12)5-6-11;/h3-4,7,9H,2,5,12H2,1H3;1H
InChIKeyDAKROFMGRNJPKV-UHFFFAOYSA-N
XLogP1.21
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 156774026
3-amino-3-(5-chloro-2-pyridinyl)propanenitrile
CID 55295263
(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile
CID 130673269
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 167377634
3-amino-3-(2H-triazol-4-yl)propanenitrile
CID 90050590
ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate
CID 104571391
[(1S)-2-cyano-1-(4-ethylsulfonylphenyl)ethyl] carbamate
CID 175151348
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide
CID 63214990
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
N-[1-[4-[6-(1-amino-2-cyanoethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123257820

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride?
The IUPAC name of 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride (CID 166644076) is 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride.
What is the SMILES notation for 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride?
The canonical SMILES for 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride is CCS(=O)(=O)c1ccc(C(N)CC#N)nc1.Cl.
What is the InChIKey of 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride?
The InChIKey is DAKROFMGRNJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S.ClH/c1-2-16(14,15)8-3-4-10(13-7-8)9(12)5-6-11;/h3-4,7,9H,2,5,12H2,1H3;1H.
What are the key properties of 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride?
3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride has a molecular weight of 275.76 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride is sourced from PubChem (CID 166644076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).