N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride

C8H19ClN2O2S — CID 43810661

IUPACN-piperidin-4-ylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCNCC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-7-13(11,12)10-8-3-5-9-6-4-8;/h8-10H,2-7H2,1H3;1H
InChIKeyUHMWJNWPTQGTRQ-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.49
Rot. Bonds4

About N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride

N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride (PubChem CID 43810661) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-ylpropane-1-sulfonamide;hydrochloride
PubChem CID43810661
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-piperidin-4-ylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCNCC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-7-13(11,12)10-8-3-5-9-6-4-8;/h8-10H,2-7H2,1H3;1H
InChIKeyUHMWJNWPTQGTRQ-UHFFFAOYSA-N
XLogP0.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride?
The IUPAC name of N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride (CID 43810661) is N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NC1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride?
The InChIKey is UHMWJNWPTQGTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-2-7-13(11,12)10-8-3-5-9-6-4-8;/h8-10H,2-7H2,1H3;1H.
What are the key properties of N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride?
N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 43810661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).