methylsulfonylmethane;naphthalen-1-amine

C12H15NO2S — CID 158608928

IUPACmethylsulfonylmethane;naphthalen-1-amine
SMILESCS(C)(=O)=O.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C2H6O2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h1-7H,11H2;1-2H3
InChIKeyHWOWRDPOMJHBPV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.08
Rot. Bonds

About methylsulfonylmethane;naphthalen-1-amine

methylsulfonylmethane;naphthalen-1-amine (PubChem CID 158608928) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is methylsulfonylmethane;naphthalen-1-amine.

Molecular Properties

Compound Namemethylsulfonylmethane;naphthalen-1-amine
PubChem CID158608928
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Namemethylsulfonylmethane;naphthalen-1-amine
SMILESCS(C)(=O)=O.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C2H6O2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h1-7H,11H2;1-2H3
InChIKeyHWOWRDPOMJHBPV-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.08
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

CID 135259743
CID 135259743
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
naphthalen-1-amine;trifluoromethanesulfonic acid
CID 175237675
dichloromethane;naphthalen-1-amine
CID 174958204
formic acid;naphthalen-1-amine
CID 174286759
diazene;naphthalen-1-amine
CID 142081772
naphthalen-1-amine;1,3,5,2,4,6-triazatriphosphinane
CID 175083244
hydrogen sulfite;naphthalen-1-amine
CID 174331156
naphthalen-1-amine;phenylmethanamine
CID 23298608
diphenyldiazene;naphthalen-1-amine
CID 159387194
naphthalen-1-amine;(sulfamoylamino)cyclohexane
CID 158467911
1-methylsulfonylnaphthalene
CID 11206535

Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethane;naphthalen-1-amine?
The IUPAC name of methylsulfonylmethane;naphthalen-1-amine (CID 158608928) is methylsulfonylmethane;naphthalen-1-amine.
What is the SMILES notation for methylsulfonylmethane;naphthalen-1-amine?
The canonical SMILES for methylsulfonylmethane;naphthalen-1-amine is CS(C)(=O)=O.Nc1cccc2ccccc12.
What is the InChIKey of methylsulfonylmethane;naphthalen-1-amine?
The InChIKey is HWOWRDPOMJHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6O2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h1-7H,11H2;1-2H3.
What are the key properties of methylsulfonylmethane;naphthalen-1-amine?
methylsulfonylmethane;naphthalen-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethane;naphthalen-1-amine is sourced from PubChem (CID 158608928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).