N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride

C16H21ClN2O2S — CID 120714484

IUPACN-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-17-14-8-5-11-18(12-14)21(19,20)16-10-4-7-13-6-2-3-9-15(13)16;/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3;1H
InChIKeyGALKXHSODHWUPF-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.63
Rot. Bonds3

About N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride

N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714484) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714484
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-17-14-8-5-11-18(12-14)21(19,20)16-10-4-7-13-6-2-3-9-15(13)16;/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3;1H
InChIKeyGALKXHSODHWUPF-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714610
N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 120715260
methyl 5-[3-(methylamino)piperidin-1-yl]sulfonylisoquinoline-1-carboxylate
CID 120715107
1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
CID 14326760
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride (CID 120714484) is N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.Cl.
What is the InChIKey of N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is GALKXHSODHWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-17-14-8-5-11-18(12-14)21(19,20)16-10-4-7-13-6-2-3-9-15(13)16;/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3;1H.
What are the key properties of N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).