1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine

C12H24N2O2S — CID 54885522

IUPAC1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H24N2O2S/c1-10(2)17(15,16)14-8-4-5-11(9-14)12-6-3-7-13-12/h10-13H,3-9H2,1-2H3
InChIKeyCTDGWWSUHWVJMX-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds3

About 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine

1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine (PubChem CID 54885522) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine
PubChem CID54885522
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H24N2O2S/c1-10(2)17(15,16)14-8-4-5-11(9-14)12-6-3-7-13-12/h10-13H,3-9H2,1-2H3
InChIKeyCTDGWWSUHWVJMX-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine (CID 54885522) is 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine is CC(C)S(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine?
The InChIKey is CTDGWWSUHWVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(2)17(15,16)14-8-4-5-11(9-14)12-6-3-7-13-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine?
1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 54885522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).