N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide

C14H25N3OS — CID 136713451

IUPACN-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCC(C)NC(=O)CC/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C14H25N3OS/c1-11(2)16-12(18)6-9-15-13-17-14(10-19-13)7-4-3-5-8-14/h11H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyIFFPZPOAPCKMTC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.30
Rot. Bonds4

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

N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (PubChem CID 136713451) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
PubChem CID136713451
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCC(C)NC(=O)CC/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C14H25N3OS/c1-11(2)16-12(18)6-9-15-13-17-14(10-19-13)7-4-3-5-8-14/h11H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyIFFPZPOAPCKMTC-UHFFFAOYSA-N
XLogP2.30
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.30
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-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713462
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-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
2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
CID 136829995
N-[2-(1,3-thiazol-2-yl)propyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136896924
N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136963337
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
N-[2-(5-bromothiophen-2-yl)ethyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136688133
N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977306
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The IUPAC name of N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (CID 136713451) is N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The canonical SMILES for N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is CC(C)NC(=O)CC/N=C1/NC2(CCCCC2)CS1.
What is the InChIKey of N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The InChIKey is IFFPZPOAPCKMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(2)16-12(18)6-9-15-13-17-14(10-19-13)7-4-3-5-8-14/h11H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide has a molecular weight of 283.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is sourced from PubChem (CID 136713451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).