2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide

C14H24N2O2S — CID 63548795

IUPAC2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1C(C)C(N)CC
InChIInChI=1S/C14H24N2O2S/c1-4-10-16-19(17,18)14-9-7-6-8-12(14)11(3)13(15)5-2/h6-9,11,13,16H,4-5,10,15H2,1-3H3
InChIKeyMAJZJKYYDCCJNA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.22
Rot. Bonds7

About 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide

2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide (PubChem CID 63548795) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
PubChem CID63548795
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1C(C)C(N)CC
InChIInChI=1S/C14H24N2O2S/c1-4-10-16-19(17,18)14-9-7-6-8-12(14)11(3)13(15)5-2/h6-9,11,13,16H,4-5,10,15H2,1-3H3
InChIKeyMAJZJKYYDCCJNA-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312
2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide
CID 63200269
2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
CID 104556716
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
CID 174330760
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
CID 63352995
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide
CID 58275405
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide (CID 63548795) is 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1C(C)C(N)CC.
What is the InChIKey of 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide?
The InChIKey is MAJZJKYYDCCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-10-16-19(17,18)14-9-7-6-8-12(14)11(3)13(15)5-2/h6-9,11,13,16H,4-5,10,15H2,1-3H3.
What are the key properties of 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide?
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 63548795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).