2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine

C18H23NOS — CID 64655445

IUPAC2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
SMILESCNC(CS(=O)C1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NOS/c1-19-18(13-21(20)17-8-4-5-9-17)16-11-10-14-6-2-3-7-15(14)12-16/h2-3,6-7,10-12,17-19H,4-5,8-9,13H2,1H3
InChIKeyBWQDPEFHTZMNJN-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.79
Rot. Bonds5

About 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine

2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine (PubChem CID 64655445) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
PubChem CID64655445
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
SMILESCNC(CS(=O)C1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NOS/c1-19-18(13-21(20)17-8-4-5-9-17)16-11-10-14-6-2-3-7-15(14)12-16/h2-3,6-7,10-12,17-19H,4-5,8-9,13H2,1H3
InChIKeyBWQDPEFHTZMNJN-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine (CID 64655445) is 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine is CNC(CS(=O)C1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine?
The InChIKey is BWQDPEFHTZMNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19-18(13-21(20)17-8-4-5-9-17)16-11-10-14-6-2-3-7-15(14)12-16/h2-3,6-7,10-12,17-19H,4-5,8-9,13H2,1H3.
What are the key properties of 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine?
2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine has a molecular weight of 301.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 64655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).