4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

C16H24N2O4S2 — CID 1166972

IUPAC4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-14-8-12-18(13-9-14)24(21,22)16-6-4-15(5-7-16)23(19,20)17-10-2-3-11-17/h4-7,14H,2-3,8-13H2,1H3
InChIKeyOYBJFXXDJZMKRG-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.89
Rot. Bonds4

About 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (PubChem CID 1166972) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
PubChem CID1166972
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-14-8-12-18(13-9-14)24(21,22)16-6-4-15(5-7-16)23(19,20)17-10-2-3-11-17/h4-7,14H,2-3,8-13H2,1H3
InChIKeyOYBJFXXDJZMKRG-UHFFFAOYSA-N
XLogP1.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.89
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-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (CID 1166972) is 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The InChIKey is OYBJFXXDJZMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-14-8-12-18(13-9-14)24(21,22)16-6-4-15(5-7-16)23(19,20)17-10-2-3-11-17/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
4-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine has a molecular weight of 372.51 g/mol, XLogP of 1.89, 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-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is sourced from PubChem (CID 1166972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).