N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

C8H15NO3S — CID 18573520

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-3-8(10)9(2)7-4-5-13(11,12)6-7/h7H,3-6H2,1-2H3
InChIKeyRQKOANLTAGSINT-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.04
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (PubChem CID 18573520) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
PubChem CID18573520
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-3-8(10)9(2)7-4-5-13(11,12)6-7/h7H,3-6H2,1-2H3
InChIKeyRQKOANLTAGSINT-UHFFFAOYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (CID 18573520) is N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is CCC(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The InChIKey is RQKOANLTAGSINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-8(10)9(2)7-4-5-13(11,12)6-7/h7H,3-6H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide has a molecular weight of 205.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 18573520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).