phenyl N-(2-methylsulfanylpropyl)carbamate

C11H15NO2S — CID 115759417

IUPACphenyl N-(2-methylsulfanylpropyl)carbamate
SMILESCSC(C)CNC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(15-2)8-12-11(13)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyHDBYQRREVUDVNL-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.53
Rot. Bonds4

About phenyl N-(2-methylsulfanylpropyl)carbamate

phenyl N-(2-methylsulfanylpropyl)carbamate (PubChem CID 115759417) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is phenyl N-(2-methylsulfanylpropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-methylsulfanylpropyl)carbamate
PubChem CID115759417
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namephenyl N-(2-methylsulfanylpropyl)carbamate
SMILESCSC(C)CNC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(15-2)8-12-11(13)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyHDBYQRREVUDVNL-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-methylsulfanylpropyl)carbamate?
The IUPAC name of phenyl N-(2-methylsulfanylpropyl)carbamate (CID 115759417) is phenyl N-(2-methylsulfanylpropyl)carbamate.
What is the SMILES notation for phenyl N-(2-methylsulfanylpropyl)carbamate?
The canonical SMILES for phenyl N-(2-methylsulfanylpropyl)carbamate is CSC(C)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-methylsulfanylpropyl)carbamate?
The InChIKey is HDBYQRREVUDVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(15-2)8-12-11(13)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13).
What are the key properties of phenyl N-(2-methylsulfanylpropyl)carbamate?
phenyl N-(2-methylsulfanylpropyl)carbamate has a molecular weight of 225.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-methylsulfanylpropyl)carbamate is sourced from PubChem (CID 115759417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).