[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate

C12H22N2O2S2 — CID 54324609

IUPAC[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
SMILESC=CSCCSCC(=NOC(=O)NC)C(C)(C)C
InChIInChI=1S/C12H22N2O2S2/c1-6-17-7-8-18-9-10(12(2,3)4)14-16-11(15)13-5/h6H,1,7-9H2,2-5H3,(H,13,15)
InChIKeySUAJCXRBOFGXBV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.35
Rot. Bonds7

About [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate

[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate (PubChem CID 54324609) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
PubChem CID54324609
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
SMILESC=CSCCSCC(=NOC(=O)NC)C(C)(C)C
InChIInChI=1S/C12H22N2O2S2/c1-6-17-7-8-18-9-10(12(2,3)4)14-16-11(15)13-5/h6H,1,7-9H2,2-5H3,(H,13,15)
InChIKeySUAJCXRBOFGXBV-UHFFFAOYSA-N
XLogP3.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
The IUPAC name of [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate (CID 54324609) is [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate.
What is the SMILES notation for [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
The canonical SMILES for [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate is C=CSCCSCC(=NOC(=O)NC)C(C)(C)C.
What is the InChIKey of [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
The InChIKey is SUAJCXRBOFGXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-6-17-7-8-18-9-10(12(2,3)4)14-16-11(15)13-5/h6H,1,7-9H2,2-5H3,(H,13,15).
What are the key properties of [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate has a molecular weight of 290.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate is sourced from PubChem (CID 54324609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).