2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide

C15H27N3OS — CID 136829995

IUPAC2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
SMILESCC1CCC2(CC1)CS/C(=N\C(C)C(=O)NC(C)C)N2
InChIInChI=1S/C15H27N3OS/c1-10(2)16-13(19)12(4)17-14-18-15(9-20-14)7-5-11(3)6-8-15/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKISKEDYPPFDPSE-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.54
Rot. Bonds3

About 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide

2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide (PubChem CID 136829995) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
PubChem CID136829995
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
SMILESCC1CCC2(CC1)CS/C(=N\C(C)C(=O)NC(C)C)N2
InChIInChI=1S/C15H27N3OS/c1-10(2)16-13(19)12(4)17-14-18-15(9-20-14)7-5-11(3)6-8-15/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKISKEDYPPFDPSE-UHFFFAOYSA-N
XLogP2.54
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide (CID 136829995) is 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide is CC1CCC2(CC1)CS/C(=N\C(C)C(=O)NC(C)C)N2.
What is the InChIKey of 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide?
The InChIKey is KISKEDYPPFDPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-10(2)16-13(19)12(4)17-14-18-15(9-20-14)7-5-11(3)6-8-15/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide?
2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide has a molecular weight of 297.47 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 136829995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).