N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide

C10H12N2OS — CID 131107362

IUPACN-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide
SMILESO=C(Nc1ccsc1)C1CC12CNC2
InChIInChI=1S/C10H12N2OS/c13-9(12-7-1-2-14-4-7)8-3-10(8)5-11-6-10/h1-2,4,8,11H,3,5-6H2,(H,12,13)
InChIKeyNJAKYLBDIKTKAH-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.30
Rot. Bonds2

About N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide

N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide (PubChem CID 131107362) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide
PubChem CID131107362
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide
SMILESO=C(Nc1ccsc1)C1CC12CNC2
InChIInChI=1S/C10H12N2OS/c13-9(12-7-1-2-14-4-7)8-3-10(8)5-11-6-10/h1-2,4,8,11H,3,5-6H2,(H,12,13)
InChIKeyNJAKYLBDIKTKAH-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide (CID 131107362) is N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide is O=C(Nc1ccsc1)C1CC12CNC2.
What is the InChIKey of N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide?
The InChIKey is NJAKYLBDIKTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9(12-7-1-2-14-4-7)8-3-10(8)5-11-6-10/h1-2,4,8,11H,3,5-6H2,(H,12,13).
What are the key properties of N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide?
N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 131107362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).