1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine

C16H32N2O2S — CID 4131799

IUPAC1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine
SMILESCC(CS(=O)(=O)CC(C)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-15(17-9-5-3-6-10-17)13-21(19,20)14-16(2)18-11-7-4-8-12-18/h15-16H,3-14H2,1-2H3
InChIKeyQIPXAOQXOBJXMW-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.15
Rot. Bonds6

About 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine

1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine (PubChem CID 4131799) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine
PubChem CID4131799
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine
SMILESCC(CS(=O)(=O)CC(C)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-15(17-9-5-3-6-10-17)13-21(19,20)14-16(2)18-11-7-4-8-12-18/h15-16H,3-14H2,1-2H3
InChIKeyQIPXAOQXOBJXMW-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine?
The IUPAC name of 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine (CID 4131799) is 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine?
The canonical SMILES for 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine is CC(CS(=O)(=O)CC(C)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine?
The InChIKey is QIPXAOQXOBJXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-15(17-9-5-3-6-10-17)13-21(19,20)14-16(2)18-11-7-4-8-12-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine?
1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine has a molecular weight of 316.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-1-ylpropylsulfonyl)propan-2-yl]piperidine is sourced from PubChem (CID 4131799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).