(3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C18H26N2O3S — CID 4678176

IUPAC(3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H26N2O3S/c1-14-11-15(2)13-19(12-14)18(21)16-5-7-17(8-6-16)24(22,23)20-9-3-4-10-20/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeySFSOXZMQIWLCDB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.59
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

(3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 4678176) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID4678176
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H26N2O3S/c1-14-11-15(2)13-19(12-14)18(21)16-5-7-17(8-6-16)24(22,23)20-9-3-4-10-20/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeySFSOXZMQIWLCDB-UHFFFAOYSA-N
XLogP2.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 4678176) is (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is CC1CC(C)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is SFSOXZMQIWLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-11-15(2)13-19(12-14)18(21)16-5-7-17(8-6-16)24(22,23)20-9-3-4-10-20/h5-8,14-15H,3-4,9-13H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4678176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).