[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone

C16H24N2O3S2 — CID 91910265

IUPAC[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C16H24N2O3S2/c1-12-6-10-22-15(12)16(19)17-7-3-14(11-17)13-4-8-18(9-5-13)23(2,20)21/h6,10,13-14H,3-5,7-9,11H2,1-2H3
InChIKeyGEXWNTAYKZDFAK-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.19
Rot. Bonds3

About [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone

[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 91910265) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID91910265
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C16H24N2O3S2/c1-12-6-10-22-15(12)16(19)17-7-3-14(11-17)13-4-8-18(9-5-13)23(2,20)21/h6,10,13-14H,3-5,7-9,11H2,1-2H3
InChIKeyGEXWNTAYKZDFAK-UHFFFAOYSA-N
XLogP2.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 91910265) is [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is GEXWNTAYKZDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-12-6-10-22-15(12)16(19)17-7-3-14(11-17)13-4-8-18(9-5-13)23(2,20)21/h6,10,13-14H,3-5,7-9,11H2,1-2H3.
What are the key properties of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91910265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).