2-methylpropyl N-ethylsulfanylcarbamate

C7H15NO2S — CID 175564979

IUPAC2-methylpropyl N-ethylsulfanylcarbamate
SMILESCCSNC(=O)OCC(C)C
InChIInChI=1S/C7H15NO2S/c1-4-11-8-7(9)10-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyODAOGTNLKPWAPL-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.04
Rot. Bonds4

About 2-methylpropyl N-ethylsulfanylcarbamate

2-methylpropyl N-ethylsulfanylcarbamate (PubChem CID 175564979) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methylpropyl N-ethylsulfanylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethylsulfanylcarbamate
PubChem CID175564979
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methylpropyl N-ethylsulfanylcarbamate
SMILESCCSNC(=O)OCC(C)C
InChIInChI=1S/C7H15NO2S/c1-4-11-8-7(9)10-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyODAOGTNLKPWAPL-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-hydroxycarbamate
CID 22467
2-methylpropyl N-ethoxycarbamate
CID 115575426
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-methylpropyl N-(1-cyanopropyl)carbamate
CID 61124599
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
CID 43407128
2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
CID 81076672
trifluoro-[2-(2-methylpropoxycarbonylamino)ethyl]boranuide
CID 142378146
2-methylpropyl N-[(5S)-2,5-dimethyl-3-oxoheptan-4-yl]carbamate
CID 58715292

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-ethylsulfanylcarbamate?
The IUPAC name of 2-methylpropyl N-ethylsulfanylcarbamate (CID 175564979) is 2-methylpropyl N-ethylsulfanylcarbamate.
What is the SMILES notation for 2-methylpropyl N-ethylsulfanylcarbamate?
The canonical SMILES for 2-methylpropyl N-ethylsulfanylcarbamate is CCSNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethylsulfanylcarbamate?
The InChIKey is ODAOGTNLKPWAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-11-8-7(9)10-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-methylpropyl N-ethylsulfanylcarbamate?
2-methylpropyl N-ethylsulfanylcarbamate has a molecular weight of 177.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethylsulfanylcarbamate is sourced from PubChem (CID 175564979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).