oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate

C14H19NO3S — CID 119038406

IUPACoxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate
SMILESO=C(NCCSc1ccccc1)OCC1CCCO1
InChIInChI=1S/C14H19NO3S/c16-14(18-11-12-5-4-9-17-12)15-8-10-19-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,15,16)
InChIKeyMJNFXYBWTXFAGL-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.68
Rot. Bonds6

About oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate

oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate (PubChem CID 119038406) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate
PubChem CID119038406
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Nameoxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate
SMILESO=C(NCCSc1ccccc1)OCC1CCCO1
InChIInChI=1S/C14H19NO3S/c16-14(18-11-12-5-4-9-17-12)15-8-10-19-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,15,16)
InChIKeyMJNFXYBWTXFAGL-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)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

[(2R)-oxolan-2-yl]methyl N-(2-phenylsulfanylethyl)carbamate
CID 100762774
oxan-2-ylmethyl 3-phenylsulfanylpropanoate
CID 78788879
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-phenylsulfanylethyl)thiourea
CID 9284064
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 94016602
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
CID 19000939
oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate
CID 154770124

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate?
The IUPAC name of oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate (CID 119038406) is oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate is O=C(NCCSc1ccccc1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate?
The InChIKey is MJNFXYBWTXFAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-14(18-11-12-5-4-9-17-12)15-8-10-19-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,15,16).
What are the key properties of oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate?
oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate has a molecular weight of 281.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate is sourced from PubChem (CID 119038406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).