ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate

C11H16N2O2S2 — CID 57128479

IUPACethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate
SMILESCCOC(=O)N(c1cccc(C)c1C)N(S)S
InChIInChI=1S/C11H16N2O2S2/c1-4-15-11(14)12(13(16)17)10-7-5-6-8(2)9(10)3/h5-7,16-17H,4H2,1-3H3
InChIKeyYHPSNDMSVAZRCO-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.17
Rot. Bonds3

About ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate

ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate (PubChem CID 57128479) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate
PubChem CID57128479
Molecular FormulaC11H16N2O2S2
Molecular Weight272.40 g/mol
Exact Mass272.07
IUPAC Nameethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate
SMILESCCOC(=O)N(c1cccc(C)c1C)N(S)S
InChIInChI=1S/C11H16N2O2S2/c1-4-15-11(14)12(13(16)17)10-7-5-6-8(2)9(10)3/h5-7,16-17H,4H2,1-3H3
InChIKeyYHPSNDMSVAZRCO-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate?
The IUPAC name of ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate (CID 57128479) is ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate.
What is the SMILES notation for ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate?
The canonical SMILES for ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate is CCOC(=O)N(c1cccc(C)c1C)N(S)S.
What is the InChIKey of ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate?
The InChIKey is YHPSNDMSVAZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-4-15-11(14)12(13(16)17)10-7-5-6-8(2)9(10)3/h5-7,16-17H,4H2,1-3H3.
What are the key properties of ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate?
ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate has a molecular weight of 272.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 57128479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).