N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine

C16H24N2S — CID 77085512

IUPACN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine
SMILESCCN(CCSc1ccccc1)CC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H24N2S/c1-2-18(12-16-14-10-17-11-15(14)16)8-9-19-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12H2,1H3/t14-,15+,16?
InChIKeyNMPMXBKFPZKAEX-XYPWUTKMSA-N
MW276.45 g/mol
LogP2.57
Rot. Bonds7

About N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine

N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine (PubChem CID 77085512) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine
PubChem CID77085512
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine
SMILESCCN(CCSc1ccccc1)CC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H24N2S/c1-2-18(12-16-14-10-17-11-15(14)16)8-9-19-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12H2,1H3/t14-,15+,16?
InChIKeyNMPMXBKFPZKAEX-XYPWUTKMSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenylsulfanylmethyl)-piperidine
CID 15147193
N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
CID 134131930
3-((Phenylsulfanyl)methyl)pyrrolidine
CID 23184281
(3S)-3-(phenylsulfanylmethyl)piperidine
CID 44447602
3,5-Dimethyl-1-(3-phenylsulfanylpropyl)piperidine
CID 11836238
1-(Cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
CID 10401389
4-{2-[(4-Fluorophenyl)sulfanyl]ethyl}piperidine
CID 18461122
4-[(2-Fluorophenyl)sulfanylmethyl]piperidine
CID 22247977
4-{[(4-Fluorophenyl)sulfanyl]methyl}piperidine
CID 60137056
4-Fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine
CID 143159312
4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfanylethyl]piperidine
CID 149102881
3-[(4-Fluorophenyl)sulfanylmethyl]-2-methyl-5-azoniaspiro[4.5]decane
CID 156492089

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine?
The IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine (CID 77085512) is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine.
What is the SMILES notation for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine?
The canonical SMILES for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine is CCN(CCSc1ccccc1)CC1[C@H]2CNC[C@@H]12.
What is the InChIKey of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine?
The InChIKey is NMPMXBKFPZKAEX-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-18(12-16-14-10-17-11-15(14)16)8-9-19-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12H2,1H3/t14-,15+,16?.
What are the key properties of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine?
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine has a molecular weight of 276.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 77085512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).