5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide

C13H19N3OS — CID 79614194

IUPAC5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNC2CCN3CCCC23)c1
InChIInChI=1S/C13H19N3OS/c14-13(17)9-6-10(18-8-9)7-15-11-3-5-16-4-1-2-12(11)16/h6,8,11-12,15H,1-5,7H2,(H2,14,17)
InChIKeyZNMOIBHFRXRBPG-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.17
Rot. Bonds4

About 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide

5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide (PubChem CID 79614194) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
PubChem CID79614194
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNC2CCN3CCCC23)c1
InChIInChI=1S/C13H19N3OS/c14-13(17)9-6-10(18-8-9)7-15-11-3-5-16-4-1-2-12(11)16/h6,8,11-12,15H,1-5,7H2,(H2,14,17)
InChIKeyZNMOIBHFRXRBPG-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide (CID 79614194) is 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNC2CCN3CCCC23)c1.
What is the InChIKey of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide?
The InChIKey is ZNMOIBHFRXRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c14-13(17)9-6-10(18-8-9)7-15-11-3-5-16-4-1-2-12(11)16/h6,8,11-12,15H,1-5,7H2,(H2,14,17).
What are the key properties of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide?
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).