N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide

C14H24N2O2S — CID 106357500

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-11-5-7-12(8-6-11)19(17,18)16-13(9-10-15)14(2,3)4/h5-8,13,16H,9-10,15H2,1-4H3
InChIKeyHGCFTZKXNXWARY-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide

N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide (PubChem CID 106357500) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
PubChem CID106357500
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-11-5-7-12(8-6-11)19(17,18)16-13(9-10-15)14(2,3)4/h5-8,13,16H,9-10,15H2,1-4H3
InChIKeyHGCFTZKXNXWARY-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide
CID 106357501
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106357503
N-(1-amino-4,4-dimethylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106357466
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 114178076
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 21078717
N-[(3S,6R)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3R,6R)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3S,6S)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3R,6S)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide
CID 162170045
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide (CID 106357500) is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCN)C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is HGCFTZKXNXWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-5-7-12(8-6-11)19(17,18)16-13(9-10-15)14(2,3)4/h5-8,13,16H,9-10,15H2,1-4H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106357500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).