2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide

C11H22N2O3S2 — CID 71917160

IUPAC2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(S(=O)(=O)N2CCCCC2)CCS1=O
InChIInChI=1S/C11H22N2O3S2/c1-11(2)10-13(8-9-17(11)14)18(15,16)12-6-4-3-5-7-12/h3-10H2,1-2H3
InChIKeyIDTFDAIRGALQII-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.56
Rot. Bonds2

About 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide

2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide (PubChem CID 71917160) has the molecular formula C11H22N2O3S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide
PubChem CID71917160
Molecular FormulaC11H22N2O3S2
Molecular Weight294.44 g/mol
Exact Mass294.11
IUPAC Name2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(S(=O)(=O)N2CCCCC2)CCS1=O
InChIInChI=1S/C11H22N2O3S2/c1-11(2)10-13(8-9-17(11)14)18(15,16)12-6-4-3-5-7-12/h3-10H2,1-2H3
InChIKeyIDTFDAIRGALQII-UHFFFAOYSA-N
XLogP0.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide (CID 71917160) is 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide is CC1(C)CN(S(=O)(=O)N2CCCCC2)CCS1=O.
What is the InChIKey of 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide?
The InChIKey is IDTFDAIRGALQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S2/c1-11(2)10-13(8-9-17(11)14)18(15,16)12-6-4-3-5-7-12/h3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide?
2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide has a molecular weight of 294.44 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 71917160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).