N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C15H24N2O3S — CID 59401672

IUPACN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-9-14(20-4)10-12(2)15(11)21(18,19)17(8-7-16-3)13-5-6-13/h9-10,13,16H,5-8H2,1-4H3
InChIKeyJHWJVSDEWRAYOB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.68
Rot. Bonds7

About N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 59401672) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID59401672
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-9-14(20-4)10-12(2)15(11)21(18,19)17(8-7-16-3)13-5-6-13/h9-10,13,16H,5-8H2,1-4H3
InChIKeyJHWJVSDEWRAYOB-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 59401672) is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is JHWJVSDEWRAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-9-14(20-4)10-12(2)15(11)21(18,19)17(8-7-16-3)13-5-6-13/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 59401672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).