phenyl N-(thiolan-3-ylmethyl)carbamate

C12H15NO2S — CID 107298409

IUPACphenyl N-(thiolan-3-ylmethyl)carbamate
SMILESO=C(NCC1CCSC1)Oc1ccccc1
InChIInChI=1S/C12H15NO2S/c14-12(13-8-10-6-7-16-9-10)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyZIMKVUZNPLSABP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.53
Rot. Bonds3

About phenyl N-(thiolan-3-ylmethyl)carbamate

phenyl N-(thiolan-3-ylmethyl)carbamate (PubChem CID 107298409) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is phenyl N-(thiolan-3-ylmethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(thiolan-3-ylmethyl)carbamate
PubChem CID107298409
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Namephenyl N-(thiolan-3-ylmethyl)carbamate
SMILESO=C(NCC1CCSC1)Oc1ccccc1
InChIInChI=1S/C12H15NO2S/c14-12(13-8-10-6-7-16-9-10)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyZIMKVUZNPLSABP-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-(thiolan-3-ylmethyl)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

phenyl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107415485
benzyl N-(thian-3-ylmethyl)carbamate
CID 130813410
phenyl N-[[5-[(phenoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]carbamate
CID 21249452
5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 107297808
2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
2-[N-(thiolan-3-ylmethylcarbamoyl)anilino]acetic acid
CID 107297593
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
CID 125139619
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
phenyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046250

Frequently Asked Questions

What is the IUPAC name of phenyl N-(thiolan-3-ylmethyl)carbamate?
The IUPAC name of phenyl N-(thiolan-3-ylmethyl)carbamate (CID 107298409) is phenyl N-(thiolan-3-ylmethyl)carbamate.
What is the SMILES notation for phenyl N-(thiolan-3-ylmethyl)carbamate?
The canonical SMILES for phenyl N-(thiolan-3-ylmethyl)carbamate is O=C(NCC1CCSC1)Oc1ccccc1.
What is the InChIKey of phenyl N-(thiolan-3-ylmethyl)carbamate?
The InChIKey is ZIMKVUZNPLSABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(13-8-10-6-7-16-9-10)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14).
What are the key properties of phenyl N-(thiolan-3-ylmethyl)carbamate?
phenyl N-(thiolan-3-ylmethyl)carbamate has a molecular weight of 237.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(thiolan-3-ylmethyl)carbamate is sourced from PubChem (CID 107298409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).