1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine

C16H32N4O4S2 — CID 6499862

IUPAC1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine
SMILESCC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C16H32N4O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h15-16H,3-14H2,1-2H3
InChIKeyQGTARWWKNSNGEA-UHFFFAOYSA-N
MW408.59 g/mol
LogP0.56
Rot. Bonds4

About 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine

1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine (PubChem CID 6499862) has the molecular formula C16H32N4O4S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine
PubChem CID6499862
Molecular FormulaC16H32N4O4S2
Molecular Weight408.59 g/mol
Exact Mass408.19
IUPAC Name1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine
SMILESCC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C16H32N4O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h15-16H,3-14H2,1-2H3
InChIKeyQGTARWWKNSNGEA-UHFFFAOYSA-N
XLogP0.56
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2237500
CID 2237500
CID 6499820
CID 6499820
CID 46976921
CID 46976921
CID 6499818
CID 6499818
CID 39977523
CID 39977523
CID 39977524
CID 39977524
CID 39977525
CID 39977525
CID 42946543
CID 42946543
CID 46595930
CID 46595930
CID 46976936
CID 46976936
CID 53497770
CID 53497770
CID 55621429
CID 55621429

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine (CID 6499862) is 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine is CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine?
The InChIKey is QGTARWWKNSNGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine?
1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine has a molecular weight of 408.59 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methylpiperidin-1-yl)sulfonyl]piperazine is sourced from PubChem (CID 6499862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).