N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide

C9H16N2O2S — CID 61119442

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCO1)C(N)=S
InChIInChI=1S/C9H16N2O2S/c1-9(2,8(10)14)11-7(12)6-4-3-5-13-6/h6H,3-5H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyUVDDLKQTNCCQBP-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.35
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide (PubChem CID 61119442) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide
PubChem CID61119442
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCO1)C(N)=S
InChIInChI=1S/C9H16N2O2S/c1-9(2,8(10)14)11-7(12)6-4-3-5-13-6/h6H,3-5H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyUVDDLKQTNCCQBP-UHFFFAOYSA-N
XLogP0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
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-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide (CID 61119442) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide is CC(C)(NC(=O)C1CCCO1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide?
The InChIKey is UVDDLKQTNCCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,8(10)14)11-7(12)6-4-3-5-13-6/h6H,3-5H2,1-2H3,(H2,10,14)(H,11,12).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 61119442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).