N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide

C13H23N3OS — CID 136817713

IUPACN,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C13H23N3OS/c1-12(2,10(17)14-3)8-15-11-16-13(9-18-11)6-4-5-7-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQDEVPCSKWXOBCH-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.76
Rot. Bonds3

About N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide

N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide (PubChem CID 136817713) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
PubChem CID136817713
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C13H23N3OS/c1-12(2,10(17)14-3)8-15-11-16-13(9-18-11)6-4-5-7-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQDEVPCSKWXOBCH-UHFFFAOYSA-N
XLogP1.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
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-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
CID 136748271
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 136817717
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136963337
3-methyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)butanamide
CID 136784852

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide (CID 136817713) is N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide is CNC(=O)C(C)(C)C/N=C1/NC2(CCCC2)CS1.
What is the InChIKey of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide?
The InChIKey is QDEVPCSKWXOBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-12(2,10(17)14-3)8-15-11-16-13(9-18-11)6-4-5-7-13/h4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide?
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide has a molecular weight of 269.41 g/mol, XLogP of 1.76, 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[4.4]nonan-2-ylideneamino)propanamide is sourced from PubChem (CID 136817713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).