N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride

C12H19ClN2O2S — CID 119524124

IUPACN-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cc2c(s1)CCOC2.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-12(2,7-13)14-11(15)10-5-8-6-16-4-3-9(8)17-10;/h5H,3-4,6-7,13H2,1-2H3,(H,14,15);1H
InChIKeyBJGBLKVBIVWSOV-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.71
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride (PubChem CID 119524124) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
PubChem CID119524124
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cc2c(s1)CCOC2.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-12(2,7-13)14-11(15)10-5-8-6-16-4-3-9(8)17-10;/h5H,3-4,6-7,13H2,1-2H3,(H,14,15);1H
InChIKeyBJGBLKVBIVWSOV-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride (CID 119524124) is N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride is CC(C)(CN)NC(=O)c1cc2c(s1)CCOC2.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
The InChIKey is BJGBLKVBIVWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-12(2,7-13)14-11(15)10-5-8-6-16-4-3-9(8)17-10;/h5H,3-4,6-7,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119524124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).