(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride

C16H21ClN2O2S — CID 119968918

IUPAC(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H20N2O2S.ClH/c17-11-13-5-4-10-18(12-13)21(19,20)16-9-3-7-14-6-1-2-8-15(14)16;/h1-3,6-9,13H,4-5,10-12,17H2;1H
InChIKeyCUCMGSCBPYKPJA-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.62
Rot. Bonds3

About (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride

(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride (PubChem CID 119968918) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
PubChem CID119968918
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H20N2O2S.ClH/c17-11-13-5-4-10-18(12-13)21(19,20)16-9-3-7-14-6-1-2-8-15(14)16;/h1-3,6-9,13H,4-5,10-12,17H2;1H
InChIKeyCUCMGSCBPYKPJA-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577
[1-(2-bromo-3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708440

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride (CID 119968918) is (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride is Cl.NCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The InChIKey is CUCMGSCBPYKPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c17-11-13-5-4-10-18(12-13)21(19,20)16-9-3-7-14-6-1-2-8-15(14)16;/h1-3,6-9,13H,4-5,10-12,17H2;1H.
What are the key properties of (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 119968918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).