N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C12H16N2O2S — CID 119453037

IUPACN-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2c(s1)CCOC2
InChIInChI=1S/C12H16N2O2S/c15-12(14-9-1-3-13-6-9)11-5-8-7-16-4-2-10(8)17-11/h5,9,13H,1-4,6-7H2,(H,14,15)
InChIKeyYIKWYKNJNMOPDL-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.91
Rot. Bonds2

About N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 119453037) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID119453037
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2c(s1)CCOC2
InChIInChI=1S/C12H16N2O2S/c15-12(14-9-1-3-13-6-9)11-5-8-7-16-4-2-10(8)17-11/h5,9,13H,1-4,6-7H2,(H,14,15)
InChIKeyYIKWYKNJNMOPDL-UHFFFAOYSA-N
XLogP0.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 97340168
(3S)-3-benzyl-4-[5-(methoxymethyl)thiophene-2-carbonyl]piperazin-2-one
CID 97940481
6-azaspiro[3.4]octan-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 127460594
5-(4-fluorophenyl)-4-(methoxymethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 57571425
[(3aR,6R,6aS)-6-amino-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 170558646
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24640438
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 42158303
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 42158307
N-[1-(3-fluorobenzyl)-5-oxo-3-pyrrolidinyl]-5-(methoxymethyl)-2-thiophenecarboxamide
CID 45172512
N-{2-[(4-fluorobenzoyl)amino]ethyl}-5-(tetrahydro-2-furanyl)-2-thiophenecarboxamide
CID 72877200
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 74244908
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 75395812

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 119453037) is N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is O=C(NC1CCNC1)c1cc2c(s1)CCOC2.
What is the InChIKey of N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is YIKWYKNJNMOPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-12(14-9-1-3-13-6-9)11-5-8-7-16-4-2-10(8)17-11/h5,9,13H,1-4,6-7H2,(H,14,15).
What are the key properties of N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 119453037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).