2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate

C12H17NO2S — CID 88875751

IUPAC2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate
SMILESCC(C)(NC(=O)OCCS)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,10-6-4-3-5-7-10)13-11(14)15-8-9-16/h3-7,16H,8-9H2,1-2H3,(H,13,14)
InChIKeyZGWDMJJEXKUTOZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.58
Rot. Bonds4

About 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate

2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate (PubChem CID 88875751) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Name2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate
PubChem CID88875751
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate
SMILESCC(C)(NC(=O)OCCS)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,10-6-4-3-5-7-10)13-11(14)15-8-9-16/h3-7,16H,8-9H2,1-2H3,(H,13,14)
InChIKeyZGWDMJJEXKUTOZ-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-sulfanylethyl N-(2-phenylpropan-2-yl)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

2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate
CID 59518640
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
3-[2-[3-[2-(propoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]propyl N-benzylcarbamate
CID 122598408
3-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]propyl N-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-yl]carbamate
CID 88854435
benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate
CID 58641875
4-[2-[3-[2-(2-prop-2-enoyloxyethoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597569
2-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 176797628
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
6-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]hexyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917583
2-chloroethyl N-[2-(4-nitrophenyl)propan-2-yl]carbamate
CID 139316292

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate?
The IUPAC name of 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate (CID 88875751) is 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate.
What is the SMILES notation for 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate?
The canonical SMILES for 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate is CC(C)(NC(=O)OCCS)c1ccccc1.
What is the InChIKey of 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate?
The InChIKey is ZGWDMJJEXKUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,10-6-4-3-5-7-10)13-11(14)15-8-9-16/h3-7,16H,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate?
2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate has a molecular weight of 239.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 88875751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).