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

C14H23N3OS — CID 136830005

IUPACN-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCC(/N=C1/NC2(CCCCC2)CS1)C(=O)NC1CC1
InChIInChI=1S/C14H23N3OS/c1-10(12(18)16-11-5-6-11)15-13-17-14(9-19-13)7-3-2-4-8-14/h10-11H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyNNDVJBYLUUTQJZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.05
Rot. Bonds3

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

N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (PubChem CID 136830005) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
PubChem CID136830005
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
SMILESCC(/N=C1/NC2(CCCCC2)CS1)C(=O)NC1CC1
InChIInChI=1S/C14H23N3OS/c1-10(12(18)16-11-5-6-11)15-13-17-14(9-19-13)7-3-2-4-8-14/h10-11H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyNNDVJBYLUUTQJZ-UHFFFAOYSA-N
XLogP2.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.05
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 N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The IUPAC name of N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide (CID 136830005) is N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is CC(/N=C1/NC2(CCCCC2)CS1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
The InChIKey is NNDVJBYLUUTQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(12(18)16-11-5-6-11)15-13-17-14(9-19-13)7-3-2-4-8-14/h10-11H,2-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide?
N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide has a molecular weight of 281.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide is sourced from PubChem (CID 136830005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).