N,N-diethylhex-2-enethioamide

C10H19NS — CID 54324617

IUPACN,N-diethylhex-2-enethioamide
SMILESCCCC=CC(=S)N(CC)CC
InChIInChI=1S/C10H19NS/c1-4-7-8-9-10(12)11(5-2)6-3/h8-9H,4-7H2,1-3H3
InChIKeySUAMAFBZQDFYFL-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.01
Rot. Bonds5

About N,N-diethylhex-2-enethioamide

N,N-diethylhex-2-enethioamide (PubChem CID 54324617) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N,N-diethylhex-2-enethioamide.

Molecular Properties

Compound NameN,N-diethylhex-2-enethioamide
PubChem CID54324617
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN,N-diethylhex-2-enethioamide
SMILESCCCC=CC(=S)N(CC)CC
InChIInChI=1S/C10H19NS/c1-4-7-8-9-10(12)11(5-2)6-3/h8-9H,4-7H2,1-3H3
InChIKeySUAMAFBZQDFYFL-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylhex-2-enethioamide?
The IUPAC name of N,N-diethylhex-2-enethioamide (CID 54324617) is N,N-diethylhex-2-enethioamide.
What is the SMILES notation for N,N-diethylhex-2-enethioamide?
The canonical SMILES for N,N-diethylhex-2-enethioamide is CCCC=CC(=S)N(CC)CC.
What is the InChIKey of N,N-diethylhex-2-enethioamide?
The InChIKey is SUAMAFBZQDFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-7-8-9-10(12)11(5-2)6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N-diethylhex-2-enethioamide?
N,N-diethylhex-2-enethioamide has a molecular weight of 185.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhex-2-enethioamide is sourced from PubChem (CID 54324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).