(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone

C13H24N2O2S — CID 63129218

IUPAC(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCS(=O)CC2)CCNCC1
InChIInChI=1S/C13H24N2O2S/c1-2-3-13(4-6-14-7-5-13)12(16)15-8-10-18(17)11-9-15/h14H,2-11H2,1H3
InChIKeyMQDPRBRUNKYJKF-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.75
Rot. Bonds3

About (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone

(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 63129218) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID63129218
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCS(=O)CC2)CCNCC1
InChIInChI=1S/C13H24N2O2S/c1-2-3-13(4-6-14-7-5-13)12(16)15-8-10-18(17)11-9-15/h14H,2-11H2,1H3
InChIKeyMQDPRBRUNKYJKF-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
4-(4-propylpiperidine-4-carbonyl)piperazine-1-sulfonamide
CID 63128829
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 107219522
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 113231360
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 79170392
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone (CID 63129218) is (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)N2CCS(=O)CC2)CCNCC1.
What is the InChIKey of (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is MQDPRBRUNKYJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-3-13(4-6-14-7-5-13)12(16)15-8-10-18(17)11-9-15/h14H,2-11H2,1H3.
What are the key properties of (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone?
(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 272.41 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 63129218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).