N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide

C11H20N2O2S — CID 79759277

IUPACN-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CC(N)=S)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-7(2)13(6-10(12)16)11(14)9-4-5-15-8(9)3/h7-9H,4-6H2,1-3H3,(H2,12,16)
InChIKeyWGPKUHCUYAISLD-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.93
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 79759277) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID79759277
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CC(N)=S)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-7(2)13(6-10(12)16)11(14)9-4-5-15-8(9)3/h7-9H,4-6H2,1-3H3,(H2,12,16)
InChIKeyWGPKUHCUYAISLD-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.93
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)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide (CID 79759277) is N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide is CC1OCCC1C(=O)N(CC(N)=S)C(C)C.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is WGPKUHCUYAISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)13(6-10(12)16)11(14)9-4-5-15-8(9)3/h7-9H,4-6H2,1-3H3,(H2,12,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.93, 4 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)-2-methyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 79759277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).