1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine

C16H19ClN2O2S — CID 120715283

IUPAC1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)C1
InChIInChI=1S/C16H19ClN2O2S/c1-18-12-5-4-10-19(11-12)22(20,21)16-9-8-15(17)13-6-2-3-7-14(13)16/h2-3,6-9,12,18H,4-5,10-11H2,1H3
InChIKeyWSFNPVHHLDMLIQ-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.87
Rot. Bonds3

About 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine

1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120715283) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID120715283
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)C1
InChIInChI=1S/C16H19ClN2O2S/c1-18-12-5-4-10-19(11-12)22(20,21)16-9-8-15(17)13-6-2-3-7-14(13)16/h2-3,6-9,12,18H,4-5,10-11H2,1H3
InChIKeyWSFNPVHHLDMLIQ-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714610
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(2-chloro-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714937
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
methyl 5-[3-(methylamino)piperidin-1-yl]sulfonylisoquinoline-1-carboxylate
CID 120715107
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715088
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 120999245

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine (CID 120715283) is 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)C1.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is WSFNPVHHLDMLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-18-12-5-4-10-19(11-12)22(20,21)16-9-8-15(17)13-6-2-3-7-14(13)16/h2-3,6-9,12,18H,4-5,10-11H2,1H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine?
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 338.86 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120715283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).