4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide

C8H16N2OS — CID 123474308

IUPAC4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide
SMILESCSCCCC(=O)NN=C(C)C
InChIInChI=1S/C8H16N2OS/c1-7(2)9-10-8(11)5-4-6-12-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyFGNZSFLWPMFTAC-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.64
Rot. Bonds5

About 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide

4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide (PubChem CID 123474308) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide
PubChem CID123474308
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide
SMILESCSCCCC(=O)NN=C(C)C
InChIInChI=1S/C8H16N2OS/c1-7(2)9-10-8(11)5-4-6-12-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyFGNZSFLWPMFTAC-UHFFFAOYSA-N
XLogP1.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
CID 25001613
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
(E)-3-methyl-6-methylsulfanylhex-2-ene
CID 87187682
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
CID 6175559
N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane
CID 160792988
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(hexan-2-ylideneamino)octanamide
CID 4148475

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide?
The IUPAC name of 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide (CID 123474308) is 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide.
What is the SMILES notation for 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide?
The canonical SMILES for 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide is CSCCCC(=O)NN=C(C)C.
What is the InChIKey of 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide?
The InChIKey is FGNZSFLWPMFTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7(2)9-10-8(11)5-4-6-12-3/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide?
4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide has a molecular weight of 188.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(propan-2-ylideneamino)butanamide is sourced from PubChem (CID 123474308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).