2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide

C14H22N2O2S — CID 63352995

IUPAC2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1CC(N)C1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-9-16-19(17,18)14-6-4-3-5-12(14)10-13(15)11-7-8-11/h3-6,11,13,16H,2,7-10,15H2,1H3
InChIKeyXIHBUCVJEBMVNF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.65
Rot. Bonds7

About 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide

2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide (PubChem CID 63352995) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
PubChem CID63352995
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1CC(N)C1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-9-16-19(17,18)14-6-4-3-5-12(14)10-13(15)11-7-8-11/h3-6,11,13,16H,2,7-10,15H2,1H3
InChIKeyXIHBUCVJEBMVNF-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
CID 55201286
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278
N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
CID 63355414
N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
CID 63202001
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide (CID 63352995) is 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1CC(N)C1CC1.
What is the InChIKey of 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide?
The InChIKey is XIHBUCVJEBMVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-9-16-19(17,18)14-6-4-3-5-12(14)10-13(15)11-7-8-11/h3-6,11,13,16H,2,7-10,15H2,1H3.
What are the key properties of 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide?
2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 63352995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).