N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride

C8H19ClN2O2S — CID 20511180

IUPACN-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCC1CCNCC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-7-4-8-2-5-9-6-3-8;/h8-10H,2-7H2,1H3;1H
InChIKeyXUCROSUHUNEDSZ-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.35
Rot. Bonds4

About N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride

N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride (PubChem CID 20511180) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride
PubChem CID20511180
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCC1CCNCC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-7-4-8-2-5-9-6-3-8;/h8-10H,2-7H2,1H3;1H
InChIKeyXUCROSUHUNEDSZ-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride (CID 20511180) is N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)NCCC1CCNCC1.Cl.
What is the InChIKey of N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride?
The InChIKey is XUCROSUHUNEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-7-4-8-2-5-9-6-3-8;/h8-10H,2-7H2,1H3;1H.
What are the key properties of N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride?
N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 20511180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).