N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide

C14H20N2O2S — CID 131702845

IUPACN-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(c2ccsc2)C1
InChIInChI=1S/C14H20N2O2S/c17-14(15-13-2-6-18-7-3-13)16-5-1-11(9-16)12-4-8-19-10-12/h4,8,10-11,13H,1-3,5-7,9H2,(H,15,17)
InChIKeyAIKIMLLZQPKDST-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.43
Rot. Bonds2

About N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide

N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 131702845) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID131702845
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(c2ccsc2)C1
InChIInChI=1S/C14H20N2O2S/c17-14(15-13-2-6-18-7-3-13)16-5-1-11(9-16)12-4-8-19-10-12/h4,8,10-11,13H,1-3,5-7,9H2,(H,15,17)
InChIKeyAIKIMLLZQPKDST-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522920
4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 144925862
4-(3-thiophen-3-ylpyrrolidine-1-carbonyl)benzonitrile
CID 131703865
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
(3-methoxy-1-methylpyrazol-4-yl)-(3-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 131703866
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
1-ethyl-4-(3-thiophen-3-ylpyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 131703872
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110612150
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522383

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide (CID 131702845) is N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(c2ccsc2)C1.
What is the InChIKey of N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is AIKIMLLZQPKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(15-13-2-6-18-7-3-13)16-5-1-11(9-16)12-4-8-19-10-12/h4,8,10-11,13H,1-3,5-7,9H2,(H,15,17).
What are the key properties of N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide?
N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 131702845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).