4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide

C15H20N2O2S — CID 66249629

IUPAC4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC2CCSc3ccccc32)COCC1N
InChIInChI=1S/C15H20N2O2S/c1-15(9-19-8-13(15)16)14(18)17-11-6-7-20-12-5-3-2-4-10(11)12/h2-5,11,13H,6-9,16H2,1H3,(H,17,18)
InChIKeyIAVWHSWEBGJGKB-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.70
Rot. Bonds2

About 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide

4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide (PubChem CID 66249629) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide
PubChem CID66249629
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC2CCSc3ccccc32)COCC1N
InChIInChI=1S/C15H20N2O2S/c1-15(9-19-8-13(15)16)14(18)17-11-6-7-20-12-5-3-2-4-10(11)12/h2-5,11,13H,6-9,16H2,1H3,(H,17,18)
InChIKeyIAVWHSWEBGJGKB-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide (CID 66249629) is 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide is CC1(C(=O)NC2CCSc3ccccc32)COCC1N.
What is the InChIKey of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is IAVWHSWEBGJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(9-19-8-13(15)16)14(18)17-11-6-7-20-12-5-3-2-4-10(11)12/h2-5,11,13H,6-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide?
4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66249629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).