2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate

C11H23NO2S — CID 23221481

IUPAC2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate
SMILESCCSN(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C11H23NO2S/c1-6-15-12(7-9(2)3)11(13)14-8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyZQPDCUPRPKCKTG-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.41
Rot. Bonds6

About 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate

2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate (PubChem CID 23221481) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate
PubChem CID23221481
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate
SMILESCCSN(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C11H23NO2S/c1-6-15-12(7-9(2)3)11(13)14-8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyZQPDCUPRPKCKTG-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate?
The IUPAC name of 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate (CID 23221481) is 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate is CCSN(CC(C)C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate?
The InChIKey is ZQPDCUPRPKCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-15-12(7-9(2)3)11(13)14-8-10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate?
2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate has a molecular weight of 233.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 23221481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).