2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine

C17H21NS — CID 64627941

IUPAC2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
SMILESNC(CSC1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H21NS/c18-17(12-19-14-8-2-3-9-14)16-11-5-7-13-6-1-4-10-15(13)16/h1,4-7,10-11,14,17H,2-3,8-9,12,18H2
InChIKeyMLFALBBSTVPZBM-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.52
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine

2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine (PubChem CID 64627941) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
PubChem CID64627941
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
SMILESNC(CSC1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H21NS/c18-17(12-19-14-8-2-3-9-14)16-11-5-7-13-6-1-4-10-15(13)16/h1,4-7,10-11,14,17H,2-3,8-9,12,18H2
InChIKeyMLFALBBSTVPZBM-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332636
2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
CID 65139691
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
(1-cyclopentylsulfanyl-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105227571
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine (CID 64627941) is 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine is NC(CSC1CCCC1)c1cccc2ccccc12.
What is the InChIKey of 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine?
The InChIKey is MLFALBBSTVPZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c18-17(12-19-14-8-2-3-9-14)16-11-5-7-13-6-1-4-10-15(13)16/h1,4-7,10-11,14,17H,2-3,8-9,12,18H2.
What are the key properties of 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine?
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64627941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).