1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine

C15H22N2O4S2 — CID 646959

IUPAC1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H22N2O4S2/c1-13-6-7-14(22(18,19)16-8-2-3-9-16)12-15(13)23(20,21)17-10-4-5-11-17/h6-7,12H,2-5,8-11H2,1H3
InChIKeyHTLHFOKVLNSBBD-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.56
Rot. Bonds4

About 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine

1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine (PubChem CID 646959) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
PubChem CID646959
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H22N2O4S2/c1-13-6-7-14(22(18,19)16-8-2-3-9-16)12-15(13)23(20,21)17-10-4-5-11-17/h6-7,12H,2-5,8-11H2,1H3
InChIKeyHTLHFOKVLNSBBD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]sulfonylpiperidine
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1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
CID 71875967
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine (CID 646959) is 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine?
The InChIKey is HTLHFOKVLNSBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-13-6-7-14(22(18,19)16-8-2-3-9-16)12-15(13)23(20,21)17-10-4-5-11-17/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine?
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine has a molecular weight of 358.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 646959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).