5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one

C15H19ClN2OS — CID 64654307

IUPAC5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCSc3ccc(Cl)cc32)CCC1=O
InChIInChI=1S/C15H19ClN2OS/c1-18-9-11(3-5-15(18)19)17-13-6-7-20-14-4-2-10(16)8-12(13)14/h2,4,8,11,13,17H,3,5-7,9H2,1H3
InChIKeyJSTFHLMYMDGKAS-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.09
Rot. Bonds2

About 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64654307) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID64654307
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCSc3ccc(Cl)cc32)CCC1=O
InChIInChI=1S/C15H19ClN2OS/c1-18-9-11(3-5-15(18)19)17-13-6-7-20-14-4-2-10(16)8-12(13)14/h2,4,8,11,13,17H,3,5-7,9H2,1H3
InChIKeyJSTFHLMYMDGKAS-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one (CID 64654307) is 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one is CN1CC(NC2CCSc3ccc(Cl)cc32)CCC1=O.
What is the InChIKey of 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is JSTFHLMYMDGKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-18-9-11(3-5-15(18)19)17-13-6-7-20-14-4-2-10(16)8-12(13)14/h2,4,8,11,13,17H,3,5-7,9H2,1H3.
What are the key properties of 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 310.85 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64654307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).