N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H20ClFN2OS — CID 119727126

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C15H19FN2OS.ClH/c16-12-5-1-4-11-13(6-8-20-15(11)12)18-14(19)9-10-3-2-7-17-10;/h1,4-5,10,13,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyYNTJEETYODVYKV-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.04
Rot. Bonds3

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119727126) has the molecular formula C15H20ClFN2OS and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119727126
Molecular FormulaC15H20ClFN2OS
Molecular Weight330.86 g/mol
Exact Mass330.10
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C15H19FN2OS.ClH/c16-12-5-1-4-11-13(6-8-20-15(11)12)18-14(19)9-10-3-2-7-17-10;/h1,4-5,10,13,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyYNTJEETYODVYKV-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119727126) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NC1CCSc2c(F)cccc21.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is YNTJEETYODVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS.ClH/c16-12-5-1-4-11-13(6-8-20-15(11)12)18-14(19)9-10-3-2-7-17-10;/h1,4-5,10,13,17H,2-3,6-9H2,(H,18,19);1H.
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119727126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).