4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide

C9H18N2O2S — CID 43581562

IUPAC4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCCNC2)CC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)6-4-11(5-7-14)9-2-1-3-10-8-9/h9-10H,1-8H2
InChIKeyFGVBQHIMNQYWHB-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds1

About 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide

4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 43581562) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide
PubChem CID43581562
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCCNC2)CC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)6-4-11(5-7-14)9-2-1-3-10-8-9/h9-10H,1-8H2
InChIKeyFGVBQHIMNQYWHB-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 652705
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4-(Piperidin-4-YL)thiomorpholine 1,1-dioxide dihydrochloride
CID 71758395
2-(Piperidin-3-yl)-1lambda6,2-thiazinane-1,1-dione
CID 83821944
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 86794900
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazine
CID 46785848
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 123725074
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide (CID 43581562) is 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CCCNC2)CC1.
What is the InChIKey of 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FGVBQHIMNQYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)6-4-11(5-7-14)9-2-1-3-10-8-9/h9-10H,1-8H2.
What are the key properties of 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide?
4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 43581562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).