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

C9H17NO3S — CID 3386590

IUPACN-(1,1-dioxothiolan-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-3-5-10(8(2)11)9-4-6-14(12,13)7-9/h9H,3-7H2,1-2H3
InChIKeyXCHWMZIRUKTKNE-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.43
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-propylacetamide (PubChem CID 3386590) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-propylacetamide
PubChem CID3386590
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-3-5-10(8(2)11)9-4-6-14(12,13)7-9/h9H,3-7H2,1-2H3
InChIKeyXCHWMZIRUKTKNE-UHFFFAOYSA-N
XLogP0.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-butyl-N-(1,1-dioxothian-4-yl)acetamide
CID 123376891
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-butyl-N-methylpropanamide
CID 113121639
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
CID 113056020
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
(2Z,4E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylhexa-2,4-dienamide
CID 97449842
4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 43030759
4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
CID 120559052
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
CID 95266358
methyl 2-[acetyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 39884592

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propylacetamide (CID 3386590) is N-(1,1-dioxothiolan-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-propylacetamide is CCCN(C(C)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The InChIKey is XCHWMZIRUKTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-5-10(8(2)11)9-4-6-14(12,13)7-9/h9H,3-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide has a molecular weight of 219.31 g/mol, XLogP of 0.43, 3 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-propylacetamide is sourced from PubChem (CID 3386590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).