1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine

C17H27N3O4S2 — CID 3192480

IUPAC1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O4S2/c1-15-5-3-4-10-20(15)26(23,24)17-8-6-16(7-9-17)25(21,22)19-13-11-18(2)12-14-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyQWXDSDVTYRVFCY-UHFFFAOYSA-N
MW401.55 g/mol
LogP1.19
Rot. Bonds4

About 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine

1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine (PubChem CID 3192480) has the molecular formula C17H27N3O4S2 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
PubChem CID3192480
Molecular FormulaC17H27N3O4S2
Molecular Weight401.55 g/mol
Exact Mass401.14
IUPAC Name1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O4S2/c1-15-5-3-4-10-20(15)26(23,24)17-8-6-16(7-9-17)25(21,22)19-13-11-18(2)12-14-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyQWXDSDVTYRVFCY-UHFFFAOYSA-N
XLogP1.19
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
4-(4-Cyclopentyl-piperazine-1-sulfonyl)-benzenesulfonamide
CID 24793469
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
2-Ethyl-1-(phenylsulfonyl)piperidine
CID 2839599
1-[1-(Benzenesulfonyl)piperidin-4-yl]azepane
CID 660410
1-Cyclooctyl-4-(phenylsulfonyl)piperazine
CID 777562
N-Cyclopropyl-4-(4-ethyl-piperazine-1-sulfonyl)-benzenesulfonamide
CID 1429249
N,N-Diethyl-3-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 3214671

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine (CID 3192480) is 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine is CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
The InChIKey is QWXDSDVTYRVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S2/c1-15-5-3-4-10-20(15)26(23,24)17-8-6-16(7-9-17)25(21,22)19-13-11-18(2)12-14-19/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine has a molecular weight of 401.55 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine is sourced from PubChem (CID 3192480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).