N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

C24H30N2O2S — CID 10295063

IUPACN-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CC3CC3c3ccccc3)CC21
InChIInChI=1S/C24H30N2O2S/c1-3-24(19-10-7-11-20(13-19)25-29(2,27)28)22-15-26(16-23(22)24)14-18-12-21(18)17-8-5-4-6-9-17/h4-11,13,18,21-23,25H,3,12,14-16H2,1-2H3
InChIKeyOWZRYRQEPOVYPD-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.07
Rot. Bonds7

About N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (PubChem CID 10295063) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
PubChem CID10295063
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CC3CC3c3ccccc3)CC21
InChIInChI=1S/C24H30N2O2S/c1-3-24(19-10-7-11-20(13-19)25-29(2,27)28)22-15-26(16-23(22)24)14-18-12-21(18)17-8-5-4-6-9-17/h4-11,13,18,21-23,25H,3,12,14-16H2,1-2H3
InChIKeyOWZRYRQEPOVYPD-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (CID 10295063) is N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is CCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CC3CC3c3ccccc3)CC21.
What is the InChIKey of N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The InChIKey is OWZRYRQEPOVYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-3-24(19-10-7-11-20(13-19)25-29(2,27)28)22-15-26(16-23(22)24)14-18-12-21(18)17-8-5-4-6-9-17/h4-11,13,18,21-23,25H,3,12,14-16H2,1-2H3.
What are the key properties of N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide has a molecular weight of 410.58 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-ethyl-3-[(2-phenylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 10295063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).