4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide

C11H20N2O4S — CID 66249046

IUPAC4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide
SMILESCC1(NC(=O)C2(C)COCC2N)CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c1-10(3-4-18(15,16)7-10)13-9(14)11(2)6-17-5-8(11)12/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKPNIHOYFLREIEK-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.96
Rot. Bonds2

About 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide

4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide (PubChem CID 66249046) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide
PubChem CID66249046
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide
SMILESCC1(NC(=O)C2(C)COCC2N)CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c1-10(3-4-18(15,16)7-10)13-9(14)11(2)6-17-5-8(11)12/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKPNIHOYFLREIEK-UHFFFAOYSA-N
XLogP-0.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide (CID 66249046) is 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide is CC1(NC(=O)C2(C)COCC2N)CCS(=O)(=O)C1.
What is the InChIKey of 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide?
The InChIKey is KPNIHOYFLREIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-10(3-4-18(15,16)7-10)13-9(14)11(2)6-17-5-8(11)12/h8H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66249046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).