4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile

C15H21N3O2S — CID 106998996

IUPAC4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
SMILESCCC1CN(S(=O)(=O)c2ccc(C#N)cc2C)CCC1N
InChIInChI=1S/C15H21N3O2S/c1-3-13-10-18(7-6-14(13)17)21(19,20)15-5-4-12(9-16)8-11(15)2/h4-5,8,13-14H,3,6-7,10,17H2,1-2H3
InChIKeyFFNPXOKFGVPWOK-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.61
Rot. Bonds3

About 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile

4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile (PubChem CID 106998996) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
PubChem CID106998996
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
SMILESCCC1CN(S(=O)(=O)c2ccc(C#N)cc2C)CCC1N
InChIInChI=1S/C15H21N3O2S/c1-3-13-10-18(7-6-14(13)17)21(19,20)15-5-4-12(9-16)8-11(15)2/h4-5,8,13-14H,3,6-7,10,17H2,1-2H3
InChIKeyFFNPXOKFGVPWOK-UHFFFAOYSA-N
XLogP1.61
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile 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

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103828847
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 119962403
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
3-(4-amino-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile;hydrochloride
CID 119984082
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606
3-methyl-4-[(3S)-3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 124678602
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 119987403
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-3-methylbenzonitrile
CID 106998975
3-methyl-4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 166212530
4-(3,3-diethylpyrrolidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 103748832
4-(4-cyano-2-methylphenyl)sulfonylmorpholine-2-carboxylic acid
CID 103862612
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
The IUPAC name of 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile (CID 106998996) is 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile.
What is the SMILES notation for 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
The canonical SMILES for 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile is CCC1CN(S(=O)(=O)c2ccc(C#N)cc2C)CCC1N.
What is the InChIKey of 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
The InChIKey is FFNPXOKFGVPWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-13-10-18(7-6-14(13)17)21(19,20)15-5-4-12(9-16)8-11(15)2/h4-5,8,13-14H,3,6-7,10,17H2,1-2H3.
What are the key properties of 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile has a molecular weight of 307.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile is sourced from PubChem (CID 106998996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).