N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

C13H20N2OS2 — CID 120653389

IUPACN-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1SCCc2sccc21
InChIInChI=1S/C13H20N2OS2/c1-3-14-9(2)8-15-13(16)12-10-4-6-17-11(10)5-7-18-12/h4,6,9,12,14H,3,5,7-8H2,1-2H3,(H,15,16)/t9-,12?/m1/s1
InChIKeySSYVGCVSZJRBIW-PKEIRNPWSA-N
MW284.45 g/mol
LogP2.19
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 120653389) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID120653389
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1SCCc2sccc21
InChIInChI=1S/C13H20N2OS2/c1-3-14-9(2)8-15-13(16)12-10-4-6-17-11(10)5-7-18-12/h4,6,9,12,14H,3,5,7-8H2,1-2H3,(H,15,16)/t9-,12?/m1/s1
InChIKeySSYVGCVSZJRBIW-PKEIRNPWSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-2-phenylpropanoic acid
CID 119254980
4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)butanoic acid
CID 119171053
N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 111485874
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride
CID 119608602
(4S)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 99812045
4-[2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)ethyl]benzoic acid
CID 119168889
(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 96563177
N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 166311950
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-3-phenylpropanoic acid
CID 119367191
(4S)-N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 96563295
5-[[[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 125153680
[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
CID 119520461

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 120653389) is N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is CCN[C@H](C)CNC(=O)C1SCCc2sccc21.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The InChIKey is SSYVGCVSZJRBIW-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-3-14-9(2)8-15-13(16)12-10-4-6-17-11(10)5-7-18-12/h4,6,9,12,14H,3,5,7-8H2,1-2H3,(H,15,16)/t9-,12?/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 284.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is sourced from PubChem (CID 120653389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).