(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine

C17H21NO3S — CID 39617509

IUPAC(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12
InChIInChI=1S/C17H21NO3S/c1-13-6-5-11-18(12-13)22(19,20)17-10-9-16(21-2)14-7-3-4-8-15(14)17/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m0/s1
InChIKeyNIIUMPLFCILAPN-ZDUSSCGKSA-N
MW319.43 g/mol
LogP3.27
Rot. Bonds3

About (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine

(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine (PubChem CID 39617509) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
PubChem CID39617509
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12
InChIInChI=1S/C17H21NO3S/c1-13-6-5-11-18(12-13)22(19,20)17-10-9-16(21-2)14-7-3-4-8-15(14)17/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m0/s1
InChIKeyNIIUMPLFCILAPN-ZDUSSCGKSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
CID 115944374
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
(3aR,6aS)-5-(4-methoxynaphthalen-1-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665313
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43342652
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 102704312
(3S)-1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine
CID 9279296
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 133200153
1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714610
(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
CID 39632861

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
The IUPAC name of (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine (CID 39617509) is (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
The canonical SMILES for (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine is COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12.
What is the InChIKey of (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
The InChIKey is NIIUMPLFCILAPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-6-5-11-18(12-13)22(19,20)17-10-9-16(21-2)14-7-3-4-8-15(14)17/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine has a molecular weight of 319.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 39617509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).