1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

C15H22N2O4S2 — CID 1435634

IUPAC1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCC1
InChIInChI=1S/C15H22N2O4S2/c18-22(19,16-9-2-1-3-10-16)14-7-6-8-15(13-14)23(20,21)17-11-4-5-12-17/h6-8,13H,1-5,9-12H2
InChIKeyPPUQTRJVVLFHFJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.65
Rot. Bonds4

About 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (PubChem CID 1435634) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
PubChem CID1435634
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCC1
InChIInChI=1S/C15H22N2O4S2/c18-22(19,16-9-2-1-3-10-16)14-7-6-8-15(13-14)23(20,21)17-11-4-5-12-17/h6-8,13H,1-5,9-12H2
InChIKeyPPUQTRJVVLFHFJ-UHFFFAOYSA-N
XLogP1.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
1-(Phenylsulfonyl)piperidine
CID 78733
1-(Phenylsulfonyl)pyrrolidine
CID 246138
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Benzenesulfinylpiperidine
CID 832420
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
4-(4-Cyclopentyl-piperazine-1-sulfonyl)-benzenesulfonamide
CID 24793469
4-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166972
2-Ethyl-1-(phenylsulfonyl)piperidine
CID 2839599
N-Butyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645283
N-Cyclopropyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 647250

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (CID 1435634) is 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The InChIKey is PPUQTRJVVLFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c18-22(19,16-9-2-1-3-10-16)14-7-6-8-15(13-14)23(20,21)17-11-4-5-12-17/h6-8,13H,1-5,9-12H2.
What are the key properties of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine has a molecular weight of 358.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is sourced from PubChem (CID 1435634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).