N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide

C15H22N2O2S — CID 22139930

IUPACN-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
SMILESCCCC1(c2cccc(NS(C)(=O)=O)c2)C2CNCC21
InChIInChI=1S/C15H22N2O2S/c1-3-7-15(13-9-16-10-14(13)15)11-5-4-6-12(8-11)17-20(2,18)19/h4-6,8,13-14,16-17H,3,7,9-10H2,1-2H3
InChIKeyJIILGDIPGSUBCS-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.95
Rot. Bonds5

About N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide

N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide (PubChem CID 22139930) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
PubChem CID22139930
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
SMILESCCCC1(c2cccc(NS(C)(=O)=O)c2)C2CNCC21
InChIInChI=1S/C15H22N2O2S/c1-3-7-15(13-9-16-10-14(13)15)11-5-4-6-12(8-11)17-20(2,18)19/h4-6,8,13-14,16-17H,3,7,9-10H2,1-2H3
InChIKeyJIILGDIPGSUBCS-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide (CID 22139930) is N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide is CCCC1(c2cccc(NS(C)(=O)=O)c2)C2CNCC21.
What is the InChIKey of N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
The InChIKey is JIILGDIPGSUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-7-15(13-9-16-10-14(13)15)11-5-4-6-12(8-11)17-20(2,18)19/h4-6,8,13-14,16-17H,3,7,9-10H2,1-2H3.
What are the key properties of N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 22139930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).