3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

C17H26N2O4S2 — CID 17441399

IUPAC3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N2O4S2/c1-14-11-15(2)13-19(12-14)25(22,23)17-7-5-16(6-8-17)24(20,21)18-9-3-4-10-18/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyUWSWORGIZFKIOI-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.14
Rot. Bonds4

About 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (PubChem CID 17441399) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
PubChem CID17441399
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC Name3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N2O4S2/c1-14-11-15(2)13-19(12-14)25(22,23)17-7-5-16(6-8-17)24(20,21)18-9-3-4-10-18/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyUWSWORGIZFKIOI-UHFFFAOYSA-N
XLogP2.14
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472325
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472328
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide
CID 7517124
(3S,5S)-3,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 27520918
(3R,5S)-3,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 27520917

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (CID 17441399) is 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The InChIKey is UWSWORGIZFKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-14-11-15(2)13-19(12-14)25(22,23)17-7-5-16(6-8-17)24(20,21)18-9-3-4-10-18/h5-8,14-15H,3-4,9-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine has a molecular weight of 386.54 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is sourced from PubChem (CID 17441399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).