N-ethyl-2-(propylsulfanylmethylidene)butanamide

C10H19NOS — CID 173467593

IUPACN-ethyl-2-(propylsulfanylmethylidene)butanamide
SMILESCCCSC=C(CC)C(=O)NCC
InChIInChI=1S/C10H19NOS/c1-4-7-13-8-9(5-2)10(12)11-6-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVVRDZCXWWFPCDP-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-2-(propylsulfanylmethylidene)butanamide

N-ethyl-2-(propylsulfanylmethylidene)butanamide (PubChem CID 173467593) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-ethyl-2-(propylsulfanylmethylidene)butanamide.

Molecular Properties

Compound NameN-ethyl-2-(propylsulfanylmethylidene)butanamide
PubChem CID173467593
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-ethyl-2-(propylsulfanylmethylidene)butanamide
SMILESCCCSC=C(CC)C(=O)NCC
InChIInChI=1S/C10H19NOS/c1-4-7-13-8-9(5-2)10(12)11-6-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVVRDZCXWWFPCDP-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(propylsulfanylmethylidene)butanamide?
The IUPAC name of N-ethyl-2-(propylsulfanylmethylidene)butanamide (CID 173467593) is N-ethyl-2-(propylsulfanylmethylidene)butanamide.
What is the SMILES notation for N-ethyl-2-(propylsulfanylmethylidene)butanamide?
The canonical SMILES for N-ethyl-2-(propylsulfanylmethylidene)butanamide is CCCSC=C(CC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(propylsulfanylmethylidene)butanamide?
The InChIKey is VVRDZCXWWFPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-7-13-8-9(5-2)10(12)11-6-3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-ethyl-2-(propylsulfanylmethylidene)butanamide?
N-ethyl-2-(propylsulfanylmethylidene)butanamide has a molecular weight of 201.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propylsulfanylmethylidene)butanamide is sourced from PubChem (CID 173467593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).