2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide

C17H26N2O4S2 — CID 7517124

IUPAC2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1
InChIInChI=1S/C17H26N2O4S2/c1-14-11-15(2)13-18(12-14)25(22,23)17-7-5-16(6-8-17)19-9-3-4-10-24(19,20)21/h5-8,14-15H,3-4,9-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyWZJUUUZIFCHKPX-GJZGRUSLSA-N
MW386.54 g/mol
LogP2.28
Rot. Bonds3

About 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide

2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide (PubChem CID 7517124) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide
PubChem CID7517124
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC Name2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1
InChIInChI=1S/C17H26N2O4S2/c1-14-11-15(2)13-18(12-14)25(22,23)17-7-5-16(6-8-17)19-9-3-4-10-24(19,20)21/h5-8,14-15H,3-4,9-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyWZJUUUZIFCHKPX-GJZGRUSLSA-N
XLogP2.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 7216463
2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide
CID 71796869
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7517163
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7517162
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide (CID 7517124) is 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide is C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1.
What is the InChIKey of 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide?
The InChIKey is WZJUUUZIFCHKPX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-14-11-15(2)13-18(12-14)25(22,23)17-7-5-16(6-8-17)19-9-3-4-10-24(19,20)21/h5-8,14-15H,3-4,9-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide?
2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide has a molecular weight of 386.54 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 7517124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).