[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate

C14H21NO2S2 — CID 130395420

IUPAC[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCC(C)(C)SSC)cc1
InChIInChI=1S/C14H21NO2S2/c1-5-11-6-8-12(9-7-11)15-13(16)17-10-14(2,3)19-18-4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyQZLXILDIZDGKAM-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.59
Rot. Bonds6

About [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate

[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate (PubChem CID 130395420) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate
PubChem CID130395420
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCC(C)(C)SSC)cc1
InChIInChI=1S/C14H21NO2S2/c1-5-11-6-8-12(9-7-11)15-13(16)17-10-14(2,3)19-18-4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyQZLXILDIZDGKAM-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 156746910
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
CID 172690542
[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate
CID 79679946
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate?
The IUPAC name of [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate (CID 130395420) is [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate.
What is the SMILES notation for [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate?
The canonical SMILES for [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCC(C)(C)SSC)cc1.
What is the InChIKey of [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate?
The InChIKey is QZLXILDIZDGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-5-11-6-8-12(9-7-11)15-13(16)17-10-14(2,3)19-18-4/h6-9H,5,10H2,1-4H3,(H,15,16).
What are the key properties of [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate?
[2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate has a molecular weight of 299.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(methyldisulfanyl)propyl] N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 130395420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).