1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride

C13H21ClN2O2S — CID 119968538

IUPAC1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)NCC1CCCNC1
InChIInChI=1S/C13H20N2O2S.ClH/c16-18(17,11-12-5-2-1-3-6-12)15-10-13-7-4-8-14-9-13;/h1-3,5-6,13-15H,4,7-11H2;1H
InChIKeyGRQXXXGXHYCAMV-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.53
Rot. Bonds5

About 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride

1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 119968538) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID119968538
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)NCC1CCCNC1
InChIInChI=1S/C13H20N2O2S.ClH/c16-18(17,11-12-5-2-1-3-6-12)15-10-13-7-4-8-14-9-13;/h1-3,5-6,13-15H,4,7-11H2;1H
InChIKeyGRQXXXGXHYCAMV-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride (CID 119968538) is 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)NCC1CCCNC1.
What is the InChIKey of 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is GRQXXXGXHYCAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c16-18(17,11-12-5-2-1-3-6-12)15-10-13-7-4-8-14-9-13;/h1-3,5-6,13-15H,4,7-11H2;1H.
What are the key properties of 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119968538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).