N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide

C14H25N3OS — CID 136817724

IUPACN,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C14H25N3OS/c1-13(2,11(18)15-3)9-16-12-17-14(10-19-12)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRLKGAMWGPQMEMC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.15
Rot. Bonds3

About N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide

N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (PubChem CID 136817724) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
PubChem CID136817724
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C14H25N3OS/c1-13(2,11(18)15-3)9-16-12-17-14(10-19-12)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRLKGAMWGPQMEMC-UHFFFAOYSA-N
XLogP2.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide
CID 136817723
N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713462
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713451
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
CID 136748271
N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 136817717
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (CID 136817724) is N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is CNC(=O)C(C)(C)C/N=C1/NC2(CCCCC2)CS1.
What is the InChIKey of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The InChIKey is RLKGAMWGPQMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-13(2,11(18)15-3)9-16-12-17-14(10-19-12)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide has a molecular weight of 283.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is sourced from PubChem (CID 136817724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).