N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide

C15H23N3O2S — CID 79664125

IUPACN-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H23N3O2S/c1-4-9-18(12-15(2,3)11-17)21(19,20)14-8-6-5-7-13(14)10-16/h5-8H,4,9,11-12,17H2,1-3H3
InChIKeyKJQXRHBZUPFEHD-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.94
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide (PubChem CID 79664125) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
PubChem CID79664125
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H23N3O2S/c1-4-9-18(12-15(2,3)11-17)21(19,20)14-8-6-5-7-13(14)10-16/h5-8H,4,9,11-12,17H2,1-3H3
InChIKeyKJQXRHBZUPFEHD-UHFFFAOYSA-N
XLogP1.94
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
CID 79662269
N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
CID 79664112
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide (CID 79664125) is N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide?
The InChIKey is KJQXRHBZUPFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-9-18(12-15(2,3)11-17)21(19,20)14-8-6-5-7-13(14)10-16/h5-8H,4,9,11-12,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide is sourced from PubChem (CID 79664125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).