N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

C20H26N2O2S2 — CID 70239332

IUPACN-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCCC(c1cccs1)N1CC2C(C1)C2(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O2S2/c1-4-18(19-9-6-10-25-19)22-12-16-17(13-22)20(16,2)14-7-5-8-15(11-14)21-26(3,23)24/h5-11,16-18,21H,4,12-13H2,1-3H3
InChIKeyLTFUQJLAGHUARU-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.09
Rot. Bonds6

About N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (PubChem CID 70239332) has the molecular formula C20H26N2O2S2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
PubChem CID70239332
Molecular FormulaC20H26N2O2S2
Molecular Weight390.57 g/mol
Exact Mass390.14
IUPAC NameN-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCCC(c1cccs1)N1CC2C(C1)C2(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O2S2/c1-4-18(19-9-6-10-25-19)22-12-16-17(13-22)20(16,2)14-7-5-8-15(11-14)21-26(3,23)24/h5-11,16-18,21H,4,12-13H2,1-3H3
InChIKeyLTFUQJLAGHUARU-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (CID 70239332) is N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is CCC(c1cccs1)N1CC2C(C1)C2(C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The InChIKey is LTFUQJLAGHUARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S2/c1-4-18(19-9-6-10-25-19)22-12-16-17(13-22)20(16,2)14-7-5-8-15(11-14)21-26(3,23)24/h5-11,16-18,21H,4,12-13H2,1-3H3.
What are the key properties of N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide has a molecular weight of 390.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 70239332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).