N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C13H17NO4S2 — CID 127500320

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C13H17NO4S2/c15-13(14-7-10-2-1-5-20(10,16)17)12-6-9-8-18-4-3-11(9)19-12/h6,10H,1-5,7-8H2,(H,14,15)
InChIKeyJRGZOXCSVFPANE-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.13
Rot. Bonds3

About N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 127500320) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID127500320
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C13H17NO4S2/c15-13(14-7-10-2-1-5-20(10,16)17)12-6-9-8-18-4-3-11(9)19-12/h6,10H,1-5,7-8H2,(H,14,15)
InChIKeyJRGZOXCSVFPANE-UHFFFAOYSA-N
XLogP1.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

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Related Compounds

5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 81039815
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 110932711
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-[[2-(bromomethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114317527
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111478893
N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115323761
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 120658273
3-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81039516

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 127500320) is N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is O=C(NCC1CCCS1(=O)=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is JRGZOXCSVFPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S2/c15-13(14-7-10-2-1-5-20(10,16)17)12-6-9-8-18-4-3-11(9)19-12/h6,10H,1-5,7-8H2,(H,14,15).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 127500320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).