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

C16H24N2O4S2 — CID 3185108

IUPAC2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-14-6-2-3-13-18(14)24(21,22)16-9-7-15(8-10-16)23(19,20)17-11-4-5-12-17/h7-10,14H,2-6,11-13H2,1H3
InChIKeyFXNHDGVNGTVCJA-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (PubChem CID 3185108) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
PubChem CID3185108
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-14-6-2-3-13-18(14)24(21,22)16-9-7-15(8-10-16)23(19,20)17-11-4-5-12-17/h7-10,14H,2-6,11-13H2,1H3
InChIKeyFXNHDGVNGTVCJA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The IUPAC name of 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (CID 3185108) is 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The InChIKey is FXNHDGVNGTVCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-14-6-2-3-13-18(14)24(21,22)16-9-7-15(8-10-16)23(19,20)17-11-4-5-12-17/h7-10,14H,2-6,11-13H2,1H3.
What are the key properties of 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine has a molecular weight of 372.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is sourced from PubChem (CID 3185108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).