4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine

C19H38N2O4S2 — CID 134443569

IUPAC4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine
SMILESCCCS(=O)(=O)N1CCC(C(C)CCCS(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C19H38N2O4S2/c1-4-15-26(22,23)21-13-9-19(10-14-21)18(3)6-5-16-27(24,25)20-11-7-17(2)8-12-20/h17-19H,4-16H2,1-3H3
InChIKeyLGCXKQILWYCMSB-UHFFFAOYSA-N
MW422.66 g/mol
LogP2.92
Rot. Bonds9

About 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine

4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine (PubChem CID 134443569) has the molecular formula C19H38N2O4S2 and a molecular weight of 422.66 g/mol. Its IUPAC name is 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine
PubChem CID134443569
Molecular FormulaC19H38N2O4S2
Molecular Weight422.66 g/mol
Exact Mass422.23
IUPAC Name4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine
SMILESCCCS(=O)(=O)N1CCC(C(C)CCCS(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C19H38N2O4S2/c1-4-15-26(22,23)21-13-9-19(10-14-21)18(3)6-5-16-27(24,25)20-11-7-17(2)8-12-20/h17-19H,4-16H2,1-3H3
InChIKeyLGCXKQILWYCMSB-UHFFFAOYSA-N
XLogP2.92
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine?
The IUPAC name of 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine (CID 134443569) is 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine?
The canonical SMILES for 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine is CCCS(=O)(=O)N1CCC(C(C)CCCS(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine?
The InChIKey is LGCXKQILWYCMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4S2/c1-4-15-26(22,23)21-13-9-19(10-14-21)18(3)6-5-16-27(24,25)20-11-7-17(2)8-12-20/h17-19H,4-16H2,1-3H3.
What are the key properties of 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine?
4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine has a molecular weight of 422.66 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(1-propylsulfonylpiperidin-4-yl)pentylsulfonyl]piperidine is sourced from PubChem (CID 134443569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).