1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine

C18H17NO2S — CID 68510538

IUPAC1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO2S/c1-19-18(22(20,21)15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13,18-19H,1H3
InChIKeyWAGPTXOQHVNOAL-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.53
Rot. Bonds4

About 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine

1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 68510538) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine
PubChem CID68510538
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO2S/c1-19-18(22(20,21)15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13,18-19H,1H3
InChIKeyWAGPTXOQHVNOAL-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
2-(4-methylphenyl)sulfonyl-2-naphthalen-1-ylacetonitrile
CID 10496014
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
tert-butyl N-[benzenesulfonyl(naphthalen-1-yl)methyl]-N-methylcarbamate
CID 68507397
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
2-(methylamino)-2-naphthalen-1-ylacetamide
CID 60797146
2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
CID 141080662
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
1-[2-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenylethyl]piperidine
CID 44890527
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine (CID 68510538) is 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine is CNC(c1cccc2ccccc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is WAGPTXOQHVNOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-19-18(22(20,21)15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13,18-19H,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine?
1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine has a molecular weight of 311.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-methyl-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 68510538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).