(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone

C12H22N2O3S — CID 63138858

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCS(=O)(=O)CC2)CCNC1
InChIInChI=1S/C12H22N2O3S/c1-2-3-12(4-5-13-10-12)11(15)14-6-8-18(16,17)9-7-14/h13H,2-10H2,1H3
InChIKeyLRDQFRKSTOFRLB-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.02
Rot. Bonds3

About (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 63138858) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID63138858
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCS(=O)(=O)CC2)CCNC1
InChIInChI=1S/C12H22N2O3S/c1-2-3-12(4-5-13-10-12)11(15)14-6-8-18(16,17)9-7-14/h13H,2-10H2,1H3
InChIKeyLRDQFRKSTOFRLB-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 107454727
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 79170392
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 63138858) is (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CCS(=O)(=O)CC2)CCNC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is LRDQFRKSTOFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-3-12(4-5-13-10-12)11(15)14-6-8-18(16,17)9-7-14/h13H,2-10H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63138858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).