2-piperidin-4-ylpropane-1-sulfonamide

C8H18N2O2S — CID 57025591

IUPAC2-piperidin-4-ylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)C1CCNCC1
InChIInChI=1S/C8H18N2O2S/c1-7(6-13(9,11)12)8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyZTTPEMDAQAFGPB-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.09
Rot. Bonds3

About 2-piperidin-4-ylpropane-1-sulfonamide

2-piperidin-4-ylpropane-1-sulfonamide (PubChem CID 57025591) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-piperidin-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-piperidin-4-ylpropane-1-sulfonamide
PubChem CID57025591
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-piperidin-4-ylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)C1CCNCC1
InChIInChI=1S/C8H18N2O2S/c1-7(6-13(9,11)12)8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyZTTPEMDAQAFGPB-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropane-1-sulfonamide?
The IUPAC name of 2-piperidin-4-ylpropane-1-sulfonamide (CID 57025591) is 2-piperidin-4-ylpropane-1-sulfonamide.
What is the SMILES notation for 2-piperidin-4-ylpropane-1-sulfonamide?
The canonical SMILES for 2-piperidin-4-ylpropane-1-sulfonamide is CC(CS(N)(=O)=O)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropane-1-sulfonamide?
The InChIKey is ZTTPEMDAQAFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(6-13(9,11)12)8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 2-piperidin-4-ylpropane-1-sulfonamide?
2-piperidin-4-ylpropane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 57025591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).