N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

C21H26N2O2S — CID 56670013

IUPACN-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2[C@H]3CN(CCCc4ccccc4)C[C@@H]23)c1
InChIInChI=1S/C21H26N2O2S/c1-26(24,25)22-18-11-5-10-17(13-18)21-19-14-23(15-20(19)21)12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13,19-22H,6,9,12,14-15H2,1H3/t19-,20+,21?
InChIKeyRNIZMXXTCCITTO-WCRBZPEASA-N
MW370.52 g/mol
LogP3.34
Rot. Bonds7

About N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (PubChem CID 56670013) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
PubChem CID56670013
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2[C@H]3CN(CCCc4ccccc4)C[C@@H]23)c1
InChIInChI=1S/C21H26N2O2S/c1-26(24,25)22-18-11-5-10-17(13-18)21-19-14-23(15-20(19)21)12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13,19-22H,6,9,12,14-15H2,1H3/t19-,20+,21?
InChIKeyRNIZMXXTCCITTO-WCRBZPEASA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (CID 56670013) is N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C2[C@H]3CN(CCCc4ccccc4)C[C@@H]23)c1.
What is the InChIKey of N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The InChIKey is RNIZMXXTCCITTO-WCRBZPEASA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-26(24,25)22-18-11-5-10-17(13-18)21-19-14-23(15-20(19)21)12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13,19-22H,6,9,12,14-15H2,1H3/t19-,20+,21?.
What are the key properties of N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 56670013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).