benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate

C18H19NO3S — CID 90901736

IUPACbenzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate
SMILESO=C(NC[C@@]1(CSc2ccccc2)CO1)OCc1ccccc1
InChIInChI=1S/C18H19NO3S/c20-17(21-11-15-7-3-1-4-8-15)19-12-18(13-22-18)14-23-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)/t18-/m0/s1
InChIKeyYEWYFSMYEHFPKZ-SFHVURJKSA-N
MW329.42 g/mol
LogP3.47
Rot. Bonds7

About benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate

benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate (PubChem CID 90901736) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate
PubChem CID90901736
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Namebenzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate
SMILESO=C(NC[C@@]1(CSc2ccccc2)CO1)OCc1ccccc1
InChIInChI=1S/C18H19NO3S/c20-17(21-11-15-7-3-1-4-8-15)19-12-18(13-22-18)14-23-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)/t18-/m0/s1
InChIKeyYEWYFSMYEHFPKZ-SFHVURJKSA-N
XLogP3.47
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate 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

benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]carbamate
CID 166000369
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-[2-[4-(hydroxymethyl)phenyl]sulfanylethyl]carbamate
CID 70252349
3-(phenylmethoxycarbonylaminomethyl)oxane-3-carboxylic acid
CID 165478972
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate (CID 90901736) is benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate is O=C(NC[C@@]1(CSc2ccccc2)CO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate?
The InChIKey is YEWYFSMYEHFPKZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17(21-11-15-7-3-1-4-8-15)19-12-18(13-22-18)14-23-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)/t18-/m0/s1.
What are the key properties of benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate?
benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2S)-2-(phenylsulfanylmethyl)oxiran-2-yl]methyl]carbamate is sourced from PubChem (CID 90901736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).