N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride

C13H21ClN2O2S — CID 14130184

IUPACN-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(CC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-18(16,17)15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14-15H,6-10H2,1H3;1H
InChIKeyLQCYSQWWQGEAQK-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.02
Rot. Bonds4

About N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride

N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 14130184) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID14130184
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(CC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-18(16,17)15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14-15H,6-10H2,1H3;1H
InChIKeyLQCYSQWWQGEAQK-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
CID 19992428
N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide
CID 58694755
N-(4-piperidin-4-ylphenyl)methanesulfonamide
CID 117389477
N-(4-piperidin-4-yloxyphenyl)methanesulfonamide
CID 19420800
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-(piperidin-4-ylmethyl)phenol
CID 17039495
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride (CID 14130184) is N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccc(CC2CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is LQCYSQWWQGEAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-18(16,17)15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14-15H,6-10H2,1H3;1H.
What are the key properties of N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride?
N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 14130184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).