4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine

C19H30N2O4S2 — CID 1087770

IUPAC4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C19H30N2O4S2/c1-15-6-10-20(11-7-15)26(22,23)18-5-4-17(3)19(14-18)27(24,25)21-12-8-16(2)9-13-21/h4-5,14-16H,6-13H2,1-3H3
InChIKeyJVNUNDPSLBDSTA-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.84
Rot. Bonds4

About 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine

4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine (PubChem CID 1087770) has the molecular formula C19H30N2O4S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
PubChem CID1087770
Molecular FormulaC19H30N2O4S2
Molecular Weight414.59 g/mol
Exact Mass414.16
IUPAC Name4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C19H30N2O4S2/c1-15-6-10-20(11-7-15)26(22,23)18-5-4-17(3)19(14-18)27(24,25)21-12-8-16(2)9-13-21/h4-5,14-16H,6-13H2,1-3H3
InChIKeyJVNUNDPSLBDSTA-UHFFFAOYSA-N
XLogP2.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
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1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
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2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
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CID 35295703
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
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CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
(3aS,7aS)-2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98296120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine?
The IUPAC name of 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine (CID 1087770) is 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine?
The InChIKey is JVNUNDPSLBDSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S2/c1-15-6-10-20(11-7-15)26(22,23)18-5-4-17(3)19(14-18)27(24,25)21-12-8-16(2)9-13-21/h4-5,14-16H,6-13H2,1-3H3.
What are the key properties of 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine?
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine has a molecular weight of 414.59 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine is sourced from PubChem (CID 1087770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).