N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide

C15H23N3O2S — CID 106920625

IUPACN-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1C#N
InChIInChI=1S/C15H23N3O2S/c1-11(2)15(17)7-8-18(4)21(19,20)14-6-5-13(10-16)12(3)9-14/h5-6,9,11,15H,7-8,17H2,1-4H3
InChIKeyDSNFOZNLYFCRGO-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.86
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide

N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide (PubChem CID 106920625) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
PubChem CID106920625
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1C#N
InChIInChI=1S/C15H23N3O2S/c1-11(2)15(17)7-8-18(4)21(19,20)14-6-5-13(10-16)12(3)9-14/h5-6,9,11,15H,7-8,17H2,1-4H3
InChIKeyDSNFOZNLYFCRGO-UHFFFAOYSA-N
XLogP1.86
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(3-amino-4-methylpentyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 119991911
4-[(4-cyano-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 106831543
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
methyl 3-[(4-cyano-3-methylphenyl)sulfonyl-methylamino]propanoate
CID 106833062
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106833094
4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106833012
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide (CID 106920625) is N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1C#N.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide?
The InChIKey is DSNFOZNLYFCRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(2)15(17)7-8-18(4)21(19,20)14-6-5-13(10-16)12(3)9-14/h5-6,9,11,15H,7-8,17H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide?
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106920625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).