3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide

C10H20N2O4S2 — CID 102884508

IUPAC3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)C1CCCNC1
InChIInChI=1S/C10H20N2O4S2/c1-9-8-17(13,14)6-5-12(9)18(15,16)10-3-2-4-11-7-10/h9-11H,2-8H2,1H3
InChIKeyYBJDJSICSVHPDR-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.81
Rot. Bonds2

About 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide

3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102884508) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID102884508
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)C1CCCNC1
InChIInChI=1S/C10H20N2O4S2/c1-9-8-17(13,14)6-5-12(9)18(15,16)10-3-2-4-11-7-10/h9-11H,2-8H2,1H3
InChIKeyYBJDJSICSVHPDR-UHFFFAOYSA-N
XLogP-0.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
CID 62672783
(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 167985024
3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 102884485
3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
CID 102884232
1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine
CID 63619733
2,6-dimethyl-4-piperidin-3-ylsulfonylmorpholine
CID 24700642
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol
CID 102959688
2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560492
4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102887417
3-cyclobutylsulfonylpiperidine
CID 115070306
3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79924714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide (CID 102884508) is 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1S(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is YBJDJSICSVHPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-9-8-17(13,14)6-5-12(9)18(15,16)10-3-2-4-11-7-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide?
3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 296.41 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102884508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).