N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide

C9H16N2O2S — CID 79758470

IUPACN-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)CC(N)=S
InChIInChI=1S/C9H16N2O2S/c1-6-7(3-4-13-6)9(12)11(2)5-8(10)14/h6-7H,3-5H2,1-2H3,(H2,10,14)
InChIKeyYVZBTKZJDYCLAH-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.16
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide (PubChem CID 79758470) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
PubChem CID79758470
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)CC(N)=S
InChIInChI=1S/C9H16N2O2S/c1-6-7(3-4-13-6)9(12)11(2)5-8(10)14/h6-7H,3-5H2,1-2H3,(H2,10,14)
InChIKeyYVZBTKZJDYCLAH-UHFFFAOYSA-N
XLogP0.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide (CID 79758470) is N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide is CC1OCCC1C(=O)N(C)CC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide?
The InChIKey is YVZBTKZJDYCLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6-7(3-4-13-6)9(12)11(2)5-8(10)14/h6-7H,3-5H2,1-2H3,(H2,10,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 79758470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).