4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride

C9H20Cl2N2O2S — CID 71758395

IUPAC4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
SMILESCl.Cl.O=S1(=O)CCN(C2CCNCC2)CC1
InChIInChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-5-11(6-8-14)9-1-3-10-4-2-9;;/h9-10H,1-8H2;2*1H
InChIKeyTUOGZOALMDFMOL-UHFFFAOYSA-N
MW291.24 g/mol
LogP0.31
Rot. Bonds1

About 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride

4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride (PubChem CID 71758395) has the molecular formula C9H20Cl2N2O2S and a molecular weight of 291.24 g/mol. Its IUPAC name is 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
PubChem CID71758395
Molecular FormulaC9H20Cl2N2O2S
Molecular Weight291.24 g/mol
Exact Mass290.06
IUPAC Name4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
SMILESCl.Cl.O=S1(=O)CCN(C2CCNCC2)CC1
InChIInChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-5-11(6-8-14)9-1-3-10-4-2-9;;/h9-10H,1-8H2;2*1H
InChIKeyTUOGZOALMDFMOL-UHFFFAOYSA-N
XLogP0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Piperidinyl)thiomorpholine dihydrochloride
CID 47000644
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
4-(Piperazin-1-yl)-1lambda6-thiane-1,1-dione dihydrochloride
CID 56773490
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
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
N-(1,1-dioxothian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63922326
1-[2-(Methylsulfonyl)ethyl]-4-piperidinamine dihydrochloride hydrate
CID 73012370
4-(3-Fluoropiperidin-4-yl)-1lambda4-thiomorpholin-1-one
CID 164646627

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride?
The IUPAC name of 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride (CID 71758395) is 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride?
The canonical SMILES for 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride is Cl.Cl.O=S1(=O)CCN(C2CCNCC2)CC1.
What is the InChIKey of 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride?
The InChIKey is TUOGZOALMDFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-5-11(6-8-14)9-1-3-10-4-2-9;;/h9-10H,1-8H2;2*1H.
What are the key properties of 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride?
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride has a molecular weight of 291.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride is sourced from PubChem (CID 71758395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).