N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide

C10H19NO3S — CID 7613961

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-8(2)6-10(12)11(3)9-4-5-15(13,14)7-9/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUBBGZHCUXMJPOH-VIFPVBQESA-N
MW233.33 g/mol
LogP0.68
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide (PubChem CID 7613961) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
PubChem CID7613961
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-8(2)6-10(12)11(3)9-4-5-15(13,14)7-9/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUBBGZHCUXMJPOH-VIFPVBQESA-N
XLogP0.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide 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 N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide (CID 7613961) is N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide?
The InChIKey is UBBGZHCUXMJPOH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)6-10(12)11(3)9-4-5-15(13,14)7-9/h8-9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide has a molecular weight of 233.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 7613961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).