4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide

C12H21N3OS — CID 113294183

IUPAC4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
SMILESNC(=O)CCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H21N3OS/c13-10(16)4-3-7-14-11-15-8-12(9-17-11)5-1-2-6-12/h1-9H2,(H2,13,16)(H,14,15)
InChIKeyHYFVULXMEXAXMV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.50
Rot. Bonds4

About 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide

4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide (PubChem CID 113294183) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide.

Molecular Properties

Compound Name4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
PubChem CID113294183
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
SMILESNC(=O)CCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H21N3OS/c13-10(16)4-3-7-14-11-15-8-12(9-17-11)5-1-2-6-12/h1-9H2,(H2,13,16)(H,14,15)
InChIKeyHYFVULXMEXAXMV-UHFFFAOYSA-N
XLogP1.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide?
The IUPAC name of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide (CID 113294183) is 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide.
What is the SMILES notation for 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide?
The canonical SMILES for 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide is NC(=O)CCCNC1=NCC2(CCCC2)CS1.
What is the InChIKey of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide?
The InChIKey is HYFVULXMEXAXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c13-10(16)4-3-7-14-11-15-8-12(9-17-11)5-1-2-6-12/h1-9H2,(H2,13,16)(H,14,15).
What are the key properties of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide?
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide is sourced from PubChem (CID 113294183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).