2-ethylsulfinyl-1-naphthalen-2-ylethanamine

C14H17NOS — CID 64652322

IUPAC2-ethylsulfinyl-1-naphthalen-2-ylethanamine
SMILESCCS(=O)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-2-17(16)10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2,10,15H2,1H3
InChIKeyLLBQAZJTCZZRFQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.61
Rot. Bonds4

About 2-ethylsulfinyl-1-naphthalen-2-ylethanamine

2-ethylsulfinyl-1-naphthalen-2-ylethanamine (PubChem CID 64652322) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-ethylsulfinyl-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-1-naphthalen-2-ylethanamine
PubChem CID64652322
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-ethylsulfinyl-1-naphthalen-2-ylethanamine
SMILESCCS(=O)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-2-17(16)10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2,10,15H2,1H3
InChIKeyLLBQAZJTCZZRFQ-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
CID 64658254
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
CID 64653976
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
2-amino-2-naphthalen-2-ylethanesulfonic acid;ethane
CID 142982277
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-ethylsulfinyl-1-naphthalen-2-ylethanamine (CID 64652322) is 2-ethylsulfinyl-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-ethylsulfinyl-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-ethylsulfinyl-1-naphthalen-2-ylethanamine is CCS(=O)CC(N)c1ccc2ccccc2c1.
What is the InChIKey of 2-ethylsulfinyl-1-naphthalen-2-ylethanamine?
The InChIKey is LLBQAZJTCZZRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-17(16)10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2,10,15H2,1H3.
What are the key properties of 2-ethylsulfinyl-1-naphthalen-2-ylethanamine?
2-ethylsulfinyl-1-naphthalen-2-ylethanamine has a molecular weight of 247.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 64652322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).