N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide

C11H16N2OS — CID 104971690

IUPACN-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccsc1
InChIInChI=1S/C11H16N2OS/c14-11(9-4-7-15-8-9)13-6-3-10-2-1-5-12-10/h4,7-8,10,12H,1-3,5-6H2,(H,13,14)/t10-/m1/s1
InChIKeyPXUHVMJYCYBDIF-SNVBAGLBSA-N
MW224.33 g/mol
LogP1.62
Rot. Bonds4

About N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide (PubChem CID 104971690) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
PubChem CID104971690
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccsc1
InChIInChI=1S/C11H16N2OS/c14-11(9-4-7-15-8-9)13-6-3-10-2-1-5-12-10/h4,7-8,10,12H,1-3,5-6H2,(H,13,14)/t10-/m1/s1
InChIKeyPXUHVMJYCYBDIF-SNVBAGLBSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 105057853
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 104971777
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-5-carboxamide
CID 104971982
N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114793811
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide (CID 104971690) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide is O=C(NCC[C@H]1CCCN1)c1ccsc1.
What is the InChIKey of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is PXUHVMJYCYBDIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(9-4-7-15-8-9)13-6-3-10-2-1-5-12-10/h4,7-8,10,12H,1-3,5-6H2,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 104971690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).