2-naphthalen-1-ylsulfonylethanamine

C12H13NO2S — CID 116853448

IUPAC2-naphthalen-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H13NO2S/c13-8-9-16(14,15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2
InChIKeyAVJMDDPJNFYALP-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.57
Rot. Bonds3

About 2-naphthalen-1-ylsulfonylethanamine

2-naphthalen-1-ylsulfonylethanamine (PubChem CID 116853448) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfonylethanamine.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfonylethanamine
PubChem CID116853448
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-naphthalen-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H13NO2S/c13-8-9-16(14,15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2
InChIKeyAVJMDDPJNFYALP-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;naphthalene-1-sulfonamide
CID 174765300
naphthalene-1-sulfonic acid
CID 158712346
1-methylsulfonylnaphthalene
CID 11206535
methanamine;naphthalene-1-sulfonic acid
CID 174421353
1-(2-fluorophenyl)sulfonylnaphthalene
CID 141142216
acetic acid;ethane-1,2-diamine;naphthalene-1-sulfonic acid
CID 174507943
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
naphthalene;naphthalen-1-ylsulfonyloxymethyl naphthalene-1-sulfonate
CID 175041270
2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine
CID 59424723
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfonylethanamine?
The IUPAC name of 2-naphthalen-1-ylsulfonylethanamine (CID 116853448) is 2-naphthalen-1-ylsulfonylethanamine.
What is the SMILES notation for 2-naphthalen-1-ylsulfonylethanamine?
The canonical SMILES for 2-naphthalen-1-ylsulfonylethanamine is NCCS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfonylethanamine?
The InChIKey is AVJMDDPJNFYALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c13-8-9-16(14,15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2.
What are the key properties of 2-naphthalen-1-ylsulfonylethanamine?
2-naphthalen-1-ylsulfonylethanamine has a molecular weight of 235.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfonylethanamine is sourced from PubChem (CID 116853448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).