2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate

C7H17NO2S2 — CID 146227835

IUPAC2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate
SMILESCC(C)COC(=O)NS(C)(C)S
InChIInChI=1S/C7H17NO2S2/c1-6(2)5-10-7(9)8-12(3,4)11/h6,11H,5H2,1-4H3,(H,8,9)
InChIKeyHXHNDFAHYMWUEO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.19
Rot. Bonds3

About 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate

2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate (PubChem CID 146227835) has the molecular formula C7H17NO2S2 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate
PubChem CID146227835
Molecular FormulaC7H17NO2S2
Molecular Weight211.35 g/mol
Exact Mass211.07
IUPAC Name2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate
SMILESCC(C)COC(=O)NS(C)(C)S
InChIInChI=1S/C7H17NO2S2/c1-6(2)5-10-7(9)8-12(3,4)11/h6,11H,5H2,1-4H3,(H,8,9)
InChIKeyHXHNDFAHYMWUEO-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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2-methylpropyl N-ethoxycarbamate
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2-methylpropyl N-(2-hydroxypropyl)carbamate
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2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
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2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
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2-methylpropyl N-(2-methylprop-1-enyl)carbamate
CID 174609096
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
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2-methylpropyl N-ethylsulfanylcarbamate
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2-methylpropyl N-(2,2-dimethylpropyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate?
The IUPAC name of 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate (CID 146227835) is 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate is CC(C)COC(=O)NS(C)(C)S.
What is the InChIKey of 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate?
The InChIKey is HXHNDFAHYMWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S2/c1-6(2)5-10-7(9)8-12(3,4)11/h6,11H,5H2,1-4H3,(H,8,9).
What are the key properties of 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate?
2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate has a molecular weight of 211.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate is sourced from PubChem (CID 146227835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).