N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride

C7H17ClN2O2S — CID 126796285

IUPACN-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride
SMILESCNS(=O)(=O)CC1CCCNC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-8-12(10,11)6-7-3-2-4-9-5-7;/h7-9H,2-6H2,1H3;1H
InChIKeyOYLURBXARKRKEG-UHFFFAOYSA-N
MW228.74 g/mol
LogP-0.04
Rot. Bonds3

About N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride

N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride (PubChem CID 126796285) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride
PubChem CID126796285
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride
SMILESCNS(=O)(=O)CC1CCCNC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-8-12(10,11)6-7-3-2-4-9-5-7;/h7-9H,2-6H2,1H3;1H
InChIKeyOYLURBXARKRKEG-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-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride?
The IUPAC name of N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride (CID 126796285) is N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride is CNS(=O)(=O)CC1CCCNC1.Cl.
What is the InChIKey of N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride?
The InChIKey is OYLURBXARKRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-8-12(10,11)6-7-3-2-4-9-5-7;/h7-9H,2-6H2,1H3;1H.
What are the key properties of N-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride?
N-methyl-1-piperidin-3-ylmethanesulfonamide;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-methyl-1-piperidin-3-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 126796285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).