N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine

C16H21NOS — CID 64653562

IUPACN-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
SMILESCCNC(CS(=O)CC)c1cccc2ccccc12
InChIInChI=1S/C16H21NOS/c1-3-17-16(12-19(18)4-2)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17H,3-4,12H2,1-2H3
InChIKeyJKGUJUDDEWXLJB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine

N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine (PubChem CID 64653562) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
PubChem CID64653562
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
SMILESCCNC(CS(=O)CC)c1cccc2ccccc12
InChIInChI=1S/C16H21NOS/c1-3-17-16(12-19(18)4-2)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17H,3-4,12H2,1-2H3
InChIKeyJKGUJUDDEWXLJB-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
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-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
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
N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 113232516
N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
CID 64652330
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine?
The IUPAC name of N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine (CID 64653562) is N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine is CCNC(CS(=O)CC)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine?
The InChIKey is JKGUJUDDEWXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-17-16(12-19(18)4-2)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17H,3-4,12H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine?
N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64653562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).