2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine

C16H19NS — CID 105131271

IUPAC2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
SMILESNC(Cc1cccc2ccccc12)C1CCSC1
InChIInChI=1S/C16H19NS/c17-16(14-8-9-18-11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11,17H2
InChIKeyQIXKHPNVZWPJBU-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.46
Rot. Bonds3

About 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine

2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine (PubChem CID 105131271) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
PubChem CID105131271
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
SMILESNC(Cc1cccc2ccccc12)C1CCSC1
InChIInChI=1S/C16H19NS/c17-16(14-8-9-18-11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11,17H2
InChIKeyQIXKHPNVZWPJBU-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716
1-(3-methylcyclopentyl)-2-naphthalen-1-ylethanamine
CID 65413962
1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine
CID 64905999
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105117558
2-(4-iodophenyl)-1-(thiolan-3-yl)ethanamine
CID 105151993
1-cyclopropyl-1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 116721971
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
(1-cyclohexyl-2-naphthalen-1-ylethyl)hydrazine
CID 105201891

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine (CID 105131271) is 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine is NC(Cc1cccc2ccccc12)C1CCSC1.
What is the InChIKey of 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine?
The InChIKey is QIXKHPNVZWPJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c17-16(14-8-9-18-11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11,17H2.
What are the key properties of 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine?
2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine has a molecular weight of 257.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105131271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).