N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide

C14H24N2O2S — CID 106165227

IUPACN-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H24N2O2S/c1-5-14(4,8-9-15)16-19(17,18)13-10-11(2)6-7-12(13)3/h6-7,10,16H,5,8-9,15H2,1-4H3
InChIKeyOWMSFQOLHDURIH-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.10
Rot. Bonds6

About N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide

N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 106165227) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID106165227
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H24N2O2S/c1-5-14(4,8-9-15)16-19(17,18)13-10-11(2)6-7-12(13)3/h6-7,10,16H,5,8-9,15H2,1-4H3
InChIKeyOWMSFQOLHDURIH-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
N-[3-(bromomethyl)pentan-3-yl]-2,5-dimethylbenzenesulfonamide
CID 114294055
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234
3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39371866
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide (CID 106165227) is N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide is CCC(C)(CCN)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is OWMSFQOLHDURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-14(4,8-9-15)16-19(17,18)13-10-11(2)6-7-12(13)3/h6-7,10,16H,5,8-9,15H2,1-4H3.
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106165227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).