4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine

C16H20N2O2S — CID 115944374

IUPAC4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
SMILESCC1CCCN(S(=O)(=O)c2ccc(N)c3ccccc23)C1
InChIInChI=1S/C16H20N2O2S/c1-12-5-4-10-18(11-12)21(19,20)16-9-8-15(17)13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11,17H2,1H3
InChIKeyNPVLPMPRUIGVGC-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.84
Rot. Bonds2

About 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine

4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine (PubChem CID 115944374) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
PubChem CID115944374
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
SMILESCC1CCCN(S(=O)(=O)c2ccc(N)c3ccccc23)C1
InChIInChI=1S/C16H20N2O2S/c1-12-5-4-10-18(11-12)21(19,20)16-9-8-15(17)13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11,17H2,1H3
InChIKeyNPVLPMPRUIGVGC-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43342652
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
3-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 115993280
4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine
CID 114411264
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
2-[(3-methylpiperidin-1-yl)sulfonylmethyl]aniline
CID 62021640

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine (CID 115944374) is 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine is CC1CCCN(S(=O)(=O)c2ccc(N)c3ccccc23)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
The InChIKey is NPVLPMPRUIGVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-5-4-10-18(11-12)21(19,20)16-9-8-15(17)13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11,17H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine has a molecular weight of 304.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine is sourced from PubChem (CID 115944374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).