4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide

C13H16N2OS — CID 60795674

IUPAC4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide
SMILESNC(=O)C1(NC2CC2)CCSc2ccccc21
InChIInChI=1S/C13H16N2OS/c14-12(16)13(15-9-5-6-9)7-8-17-11-4-2-1-3-10(11)13/h1-4,9,15H,5-8H2,(H2,14,16)
InChIKeySFDPVRIQIOAASK-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.62
Rot. Bonds3

About 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide

4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide (PubChem CID 60795674) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide
PubChem CID60795674
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide
SMILESNC(=O)C1(NC2CC2)CCSc2ccccc21
InChIInChI=1S/C13H16N2OS/c14-12(16)13(15-9-5-6-9)7-8-17-11-4-2-1-3-10(11)13/h1-4,9,15H,5-8H2,(H2,14,16)
InChIKeySFDPVRIQIOAASK-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(cyclopentylamino)-2,3-dihydrothiochromene-4-carboxylate
CID 60997344
4-hydroxy-2,3-dihydrothiochromene-4-carboxamide
CID 62213241
4-(2-bromoanilino)-2,3-dihydrothiochromene-4-carboxylic acid
CID 60994539
methyl 4-anilino-2,3-dihydrothiochromene-4-carboxylate
CID 60991788
ethyl 4-(2,2,2-trifluoroethylamino)-2,3-dihydrothiochromene-4-carboxylate
CID 60998110
4-(3-bromoanilino)-2,3-dihydrothiochromene-4-carboxylic acid
CID 60994832
4-(3-azidopropylamino)-2,3-dihydrothiochromene-4-carboxylic acid
CID 66189698
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43754606
methyl 2-(4-amino-2,3-dihydrothiochromen-4-yl)acetate
CID 79848760
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
1-(cyclopropylamino)-4-phenylcyclohexane-1-carboxamide
CID 60796821
4-[cyclopropyl(formyl)amino]-2,3-dihydrothiochromene-4-carboxylic acid
CID 63688747

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide (CID 60795674) is 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide is NC(=O)C1(NC2CC2)CCSc2ccccc21.
What is the InChIKey of 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide?
The InChIKey is SFDPVRIQIOAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-12(16)13(15-9-5-6-9)7-8-17-11-4-2-1-3-10(11)13/h1-4,9,15H,5-8H2,(H2,14,16).
What are the key properties of 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide?
4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide is sourced from PubChem (CID 60795674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).