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

C11H17ClN2O2S — CID 120508772

IUPACN-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cc2c(s1)CCOC2.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-7(5-12)13-11(14)10-4-8-6-15-3-2-9(8)16-10;/h4,7H,2-3,5-6,12H2,1H3,(H,13,14);1H/t7-;/m0./s1
InChIKeyJSTGVKPBMYADJV-FJXQXJEOSA-N
MW276.79 g/mol
LogP1.32
Rot. Bonds3

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

N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride (PubChem CID 120508772) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
PubChem CID120508772
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cc2c(s1)CCOC2.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-7(5-12)13-11(14)10-4-8-6-15-3-2-9(8)16-10;/h4,7H,2-3,5-6,12H2,1H3,(H,13,14);1H/t7-;/m0./s1
InChIKeyJSTGVKPBMYADJV-FJXQXJEOSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119608083
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-[(2R)-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79027802
N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 124605984
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94116612
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228
N-(1-bromopropan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114310501
N-(4-bromobutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 83180207

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride (CID 120508772) is N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)c1cc2c(s1)CCOC2.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
The InChIKey is JSTGVKPBMYADJV-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-7(5-12)13-11(14)10-4-8-6-15-3-2-9(8)16-10;/h4,7H,2-3,5-6,12H2,1H3,(H,13,14);1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120508772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).