2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide

C14H22N2O2S — CID 63355092

IUPAC2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(Cc1ccccc1S(N)(=O)=O)C1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-9-16-13(11-7-8-11)10-12-5-3-4-6-14(12)19(15,17)18/h3-6,11,13,16H,2,7-10H2,1H3,(H2,15,17,18)
InChIKeyOXQAGZJTNZMCNY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide

2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 63355092) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
PubChem CID63355092
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(Cc1ccccc1S(N)(=O)=O)C1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-9-16-13(11-7-8-11)10-12-5-3-4-6-14(12)19(15,17)18/h3-6,11,13,16H,2,7-10H2,1H3,(H2,15,17,18)
InChIKeyOXQAGZJTNZMCNY-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

N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
CID 63355414
2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
CID 63352995
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
CID 103290116
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide (CID 63355092) is 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide is CCCNC(Cc1ccccc1S(N)(=O)=O)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is OXQAGZJTNZMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-9-16-13(11-7-8-11)10-12-5-3-4-6-14(12)19(15,17)18/h3-6,11,13,16H,2,7-10H2,1H3,(H2,15,17,18).
What are the key properties of 2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide?
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide 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-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 63355092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).