N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide

C14H21N3O2S — CID 106999005

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C14H21N3O2S/c1-10(2)14(4,9-16)17-20(18,19)13-6-5-12(8-15)7-11(13)3/h5-7,10,17H,9,16H2,1-4H3
InChIKeyCVCINLZMUZZVNC-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.52
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106999005) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106999005
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C14H21N3O2S/c1-10(2)14(4,9-16)17-20(18,19)13-6-5-12(8-15)7-11(13)3/h5-7,10,17H,9,16H2,1-4H3
InChIKeyCVCINLZMUZZVNC-UHFFFAOYSA-N
XLogP1.52
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(2-cyanobutan-2-yl)-2-methylbenzenesulfonamide
CID 103849897
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
CID 115310566
N-[(2S)-1-amino-4-methylpentan-2-yl]-4-cyano-2-methylbenzenesulfonamide
CID 97238595
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
CID 115310737
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527968
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
(2S)-2-[(4-cyano-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 103862630

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide (CID 106999005) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is CVCINLZMUZZVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)14(4,9-16)17-20(18,19)13-6-5-12(8-15)7-11(13)3/h5-7,10,17H,9,16H2,1-4H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106999005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).