N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide

C15H27N3OS — CID 136713462

IUPACN-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCC(C)(C)NC(=O)CC/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C15H27N3OS/c1-14(2,3)17-12(19)7-10-16-13-18-15(11-20-13)8-5-4-6-9-15/h4-11H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyGZXOPIBQCKGQLH-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.69
Rot. Bonds3

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

N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (PubChem CID 136713462) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
PubChem CID136713462
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCC(C)(C)NC(=O)CC/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C15H27N3OS/c1-14(2,3)17-12(19)7-10-16-13-18-15(11-20-13)8-5-4-6-9-15/h4-11H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyGZXOPIBQCKGQLH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713451
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N-tert-butylpropanamide
CID 136747288
N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
CID 136748271
N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933414
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide
CID 136713428
3-methyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)butanamide
CID 136784852
3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136951355
N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136757322
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The IUPAC name of N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (CID 136713462) is N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is CC(C)(C)NC(=O)CC/N=C1/NC2(CCCCC2)CS1.
What is the InChIKey of N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The InChIKey is GZXOPIBQCKGQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-14(2,3)17-12(19)7-10-16-13-18-15(11-20-13)8-5-4-6-9-15/h4-11H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide has a molecular weight of 297.47 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is sourced from PubChem (CID 136713462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).