1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine

C15H24N2O2S2 — CID 91910322

IUPAC1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine
SMILESCS(=O)(=O)N1CCC(C2CCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C15H24N2O2S2/c1-21(18,19)17-8-5-13(6-9-17)14-4-7-16(11-14)12-15-3-2-10-20-15/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeySXOSDLWQVPPKRJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.24
Rot. Bonds4

About 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine

1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine (PubChem CID 91910322) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine
PubChem CID91910322
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine
SMILESCS(=O)(=O)N1CCC(C2CCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C15H24N2O2S2/c1-21(18,19)17-8-5-13(6-9-17)14-4-7-16(11-14)12-15-3-2-10-20-15/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeySXOSDLWQVPPKRJ-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine (CID 91910322) is 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine is CS(=O)(=O)N1CCC(C2CCN(Cc3cccs3)C2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine?
The InChIKey is SXOSDLWQVPPKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-21(18,19)17-8-5-13(6-9-17)14-4-7-16(11-14)12-15-3-2-10-20-15/h2-3,10,13-14H,4-9,11-12H2,1H3.
What are the key properties of 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine?
1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine has a molecular weight of 328.50 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 91910322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).