1,1-dioxo-4-propylthiane-4-carboxamide

C9H17NO3S — CID 118669204

IUPAC1,1-dioxo-4-propylthiane-4-carboxamide
SMILESCCCC1(C(N)=O)CCS(=O)(=O)CC1
InChIInChI=1S/C9H17NO3S/c1-2-3-9(8(10)11)4-6-14(12,13)7-5-9/h2-7H2,1H3,(H2,10,11)
InChIKeyVYJPDIOXEPJXGF-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.47
Rot. Bonds3

About 1,1-dioxo-4-propylthiane-4-carboxamide

1,1-dioxo-4-propylthiane-4-carboxamide (PubChem CID 118669204) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1,1-dioxo-4-propylthiane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-4-propylthiane-4-carboxamide
PubChem CID118669204
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1,1-dioxo-4-propylthiane-4-carboxamide
SMILESCCCC1(C(N)=O)CCS(=O)(=O)CC1
InChIInChI=1S/C9H17NO3S/c1-2-3-9(8(10)11)4-6-14(12,13)7-5-9/h2-7H2,1H3,(H2,10,11)
InChIKeyVYJPDIOXEPJXGF-UHFFFAOYSA-N
XLogP0.47
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-4-propylthiane-4-carboxylic acid
CID 118669196
tert-butyl 1,1-dioxo-4-propylthiane-4-carboxylate
CID 130272215
1-butylcyclohexane-1-carboxamide
CID 57018178
1-ethylcyclopentane-1-carboxamide
CID 55285008
1-decylcyclobutane-1-carboxamide
CID 10037267
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
CID 146844151
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
4-(aminooxymethyl)-1,1-dioxothiane-4-carboxylic acid
CID 105480386
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
CID 70614792
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
CID 67540798

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-propylthiane-4-carboxamide?
The IUPAC name of 1,1-dioxo-4-propylthiane-4-carboxamide (CID 118669204) is 1,1-dioxo-4-propylthiane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-4-propylthiane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-4-propylthiane-4-carboxamide is CCCC1(C(N)=O)CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-4-propylthiane-4-carboxamide?
The InChIKey is VYJPDIOXEPJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-3-9(8(10)11)4-6-14(12,13)7-5-9/h2-7H2,1H3,(H2,10,11).
What are the key properties of 1,1-dioxo-4-propylthiane-4-carboxamide?
1,1-dioxo-4-propylthiane-4-carboxamide has a molecular weight of 219.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-propylthiane-4-carboxamide is sourced from PubChem (CID 118669204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).