phenyl N-(2-methylsulfanylethyl)carbamate

C10H13NO2S — CID 60637251

IUPACphenyl N-(2-methylsulfanylethyl)carbamate
SMILESCSCCNC(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO2S/c1-14-8-7-11-10(12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyNWZLBCIAZSNHID-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.14
Rot. Bonds4

About phenyl N-(2-methylsulfanylethyl)carbamate

phenyl N-(2-methylsulfanylethyl)carbamate (PubChem CID 60637251) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is phenyl N-(2-methylsulfanylethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-methylsulfanylethyl)carbamate
PubChem CID60637251
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namephenyl N-(2-methylsulfanylethyl)carbamate
SMILESCSCCNC(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO2S/c1-14-8-7-11-10(12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyNWZLBCIAZSNHID-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl) N-(2-methylsulfanylethyl)carbamate
CID 86123043
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
phenyl N-(2-phenylethyl)carbamate
CID 12632743
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-(2-nitrooxyethyl)carbamate
CID 15839956
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
phenyl N-(2-oxopropyl)carbamate
CID 18713777
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-methylsulfanylethyl)carbamate?
The IUPAC name of phenyl N-(2-methylsulfanylethyl)carbamate (CID 60637251) is phenyl N-(2-methylsulfanylethyl)carbamate.
What is the SMILES notation for phenyl N-(2-methylsulfanylethyl)carbamate?
The canonical SMILES for phenyl N-(2-methylsulfanylethyl)carbamate is CSCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-methylsulfanylethyl)carbamate?
The InChIKey is NWZLBCIAZSNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14-8-7-11-10(12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of phenyl N-(2-methylsulfanylethyl)carbamate?
phenyl N-(2-methylsulfanylethyl)carbamate has a molecular weight of 211.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-methylsulfanylethyl)carbamate is sourced from PubChem (CID 60637251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).