(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one

C12H22N2O3S — CID 129397448

IUPAC(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](N2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C12H22N2O3S/c1-10(2)14-5-3-4-11(12(14)15)13-6-8-18(16,17)9-7-13/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyHARRVBXRLPYQMW-NSHDSACASA-N
MW274.39 g/mol
LogP0.12
Rot. Bonds2

About (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one

(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one (PubChem CID 129397448) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one
PubChem CID129397448
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](N2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C12H22N2O3S/c1-10(2)14-5-3-4-11(12(14)15)13-6-8-18(16,17)9-7-13/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyHARRVBXRLPYQMW-NSHDSACASA-N
XLogP0.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one (CID 129397448) is (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one is CC(C)N1CCC[C@H](N2CCS(=O)(=O)CC2)C1=O.
What is the InChIKey of (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one?
The InChIKey is HARRVBXRLPYQMW-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(2)14-5-3-4-11(12(14)15)13-6-8-18(16,17)9-7-13/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one?
(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one has a molecular weight of 274.39 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 129397448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).