N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide

C14H22N2O2S — CID 75510363

IUPACN-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(CCN(C)C2CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)15-13-6-4-5-12(11-13)9-10-16(2)14-7-8-14/h4-6,11,14-15H,3,7-10H2,1-2H3
InChIKeyYPEADTQNEVJJDN-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.08
Rot. Bonds7

About N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide

N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide (PubChem CID 75510363) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide
PubChem CID75510363
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(CCN(C)C2CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)15-13-6-4-5-12(11-13)9-10-16(2)14-7-8-14/h4-6,11,14-15H,3,7-10H2,1-2H3
InChIKeyYPEADTQNEVJJDN-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide (CID 75510363) is N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(CCN(C)C2CC2)c1.
What is the InChIKey of N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide?
The InChIKey is YPEADTQNEVJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)15-13-6-4-5-12(11-13)9-10-16(2)14-7-8-14/h4-6,11,14-15H,3,7-10H2,1-2H3.
What are the key properties of N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide?
N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 75510363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).