N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride

C7H17ClN2O2S — CID 44630864

IUPACN-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCNCC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-6-7-2-4-8-5-3-7;/h7-9H,2-6H2,1H3;1H
InChIKeyOBUMIOSVDHHOFK-UHFFFAOYSA-N
MW228.74 g/mol
LogP-0.04
Rot. Bonds3

About N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride

N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 44630864) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID44630864
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCNCC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-6-7-2-4-8-5-3-7;/h7-9H,2-6H2,1H3;1H
InChIKeyOBUMIOSVDHHOFK-UHFFFAOYSA-N
XLogP-0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride (CID 44630864) is N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCNCC1.Cl.
What is the InChIKey of N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is OBUMIOSVDHHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-6-7-2-4-8-5-3-7;/h7-9H,2-6H2,1H3;1H.
What are the key properties of N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride?
N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 44630864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).