2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine

C18H25NOS — CID 64651937

IUPAC2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
SMILESCCNC(CS(=O)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H25NOS/c1-5-19-17(13-21(20)18(2,3)4)16-12-8-10-14-9-6-7-11-15(14)16/h6-12,17,19H,5,13H2,1-4H3
InChIKeyLKQVPQAIXYXBAV-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.04
Rot. Bonds5

About 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine

2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine (PubChem CID 64651937) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
PubChem CID64651937
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
SMILESCCNC(CS(=O)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H25NOS/c1-5-19-17(13-21(20)18(2,3)4)16-12-8-10-14-9-6-7-11-15(14)16/h6-12,17,19H,5,13H2,1-4H3
InChIKeyLKQVPQAIXYXBAV-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
CID 64653562
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512
N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
CID 104805323
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 63890250
2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
N-ethyl-2-(furan-3-yl)-1-naphthalen-1-ylethanamine
CID 83176025
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine (CID 64651937) is 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine is CCNC(CS(=O)C(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine?
The InChIKey is LKQVPQAIXYXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-19-17(13-21(20)18(2,3)4)16-12-8-10-14-9-6-7-11-15(14)16/h6-12,17,19H,5,13H2,1-4H3.
What are the key properties of 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine?
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64651937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).