(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate

C12H17NO2S — CID 154538662

IUPAC(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
SMILESCSC(C)(C)COC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,16-3)9-15-11(14)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyKLALPGDKRCNGPZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.38
Rot. Bonds4

About (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate

(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate (PubChem CID 154538662) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
PubChem CID154538662
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
SMILESCSC(C)(C)COC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,16-3)9-15-11(14)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyKLALPGDKRCNGPZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate
CID 130395420
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
2-ethoxyethyl N-phenylcarbamate
CID 4101389
dodecyl N-phenylcarbamate
CID 521818
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-(2-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
3-methylbut-2-enyl N-phenylcarbamate
CID 824835
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
3-methylbutyl N-phenylcarbamate
CID 69480810
[2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-2-methyl-3-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
CID 4654305

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate?
The IUPAC name of (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate (CID 154538662) is (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate.
What is the SMILES notation for (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate?
The canonical SMILES for (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate is CSC(C)(C)COC(=O)Nc1ccccc1.
What is the InChIKey of (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate?
The InChIKey is KLALPGDKRCNGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,16-3)9-15-11(14)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate?
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate has a molecular weight of 239.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate is sourced from PubChem (CID 154538662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).