3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

C15H24N2O2S — CID 107399516

IUPAC3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2O2S/c1-3-17(11-13-6-4-7-13)20(18,19)15-9-5-8-14(10-15)12(2)16/h5,8-10,12-13H,3-4,6-7,11,16H2,1-2H3
InChIKeyXENDHWUWIPRWCC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.52
Rot. Bonds6

About 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (PubChem CID 107399516) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
PubChem CID107399516
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2O2S/c1-3-17(11-13-6-4-7-13)20(18,19)15-9-5-8-14(10-15)12(2)16/h5,8-10,12-13H,3-4,6-7,11,16H2,1-2H3
InChIKeyXENDHWUWIPRWCC-UHFFFAOYSA-N
XLogP2.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828
3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (CID 107399516) is 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cccc(C(C)N)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The InChIKey is XENDHWUWIPRWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-17(11-13-6-4-7-13)20(18,19)15-9-5-8-14(10-15)12(2)16/h5,8-10,12-13H,3-4,6-7,11,16H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 107399516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).