N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide

C15H19ClN2OS — CID 79388829

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2OS/c1-9-11(4-6-17-9)15(19)18-13-5-7-20-14-3-2-10(16)8-12(13)14/h2-3,8-9,11,13,17H,4-7H2,1H3,(H,18,19)
InChIKeyFOXNZCUZCVLBEO-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.99
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388829) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388829
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2OS/c1-9-11(4-6-17-9)15(19)18-13-5-7-20-14-3-2-10(16)8-12(13)14/h2-3,8-9,11,13,17H,4-7H2,1H3,(H,18,19)
InChIKeyFOXNZCUZCVLBEO-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43709277
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119696448
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 60850857
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
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9-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984131
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)adamantane-1-carboxamide
CID 18120449
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide (CID 79388829) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is FOXNZCUZCVLBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-9-11(4-6-17-9)15(19)18-13-5-7-20-14-3-2-10(16)8-12(13)14/h2-3,8-9,11,13,17H,4-7H2,1H3,(H,18,19).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 310.85 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).