N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide

C17H25N3OS — CID 154870893

IUPACN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)N1CCCC12CC2
InChIInChI=1S/C17H25N3OS/c21-16(20-10-3-5-17(20)6-7-17)18-12-15(14-4-11-22-13-14)19-8-1-2-9-19/h4,11,13,15H,1-3,5-10,12H2,(H,18,21)
InChIKeyJHIJAVDDMCGMIT-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.22
Rot. Bonds4

About N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide

N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide (PubChem CID 154870893) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide
PubChem CID154870893
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)N1CCCC12CC2
InChIInChI=1S/C17H25N3OS/c21-16(20-10-3-5-17(20)6-7-17)18-12-15(14-4-11-22-13-14)19-8-1-2-9-19/h4,11,13,15H,1-3,5-10,12H2,(H,18,21)
InChIKeyJHIJAVDDMCGMIT-UHFFFAOYSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide (CID 154870893) is N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide is O=C(NCC(c1ccsc1)N1CCCC1)N1CCCC12CC2.
What is the InChIKey of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide?
The InChIKey is JHIJAVDDMCGMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-16(20-10-3-5-17(20)6-7-17)18-12-15(14-4-11-22-13-14)19-8-1-2-9-19/h4,11,13,15H,1-3,5-10,12H2,(H,18,21).
What are the key properties of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide?
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide is sourced from PubChem (CID 154870893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).