(E)-N,N-dimethylpent-2-enethioamide

C7H13NS — CID 13403804

IUPAC(E)-N,N-dimethylpent-2-enethioamide
SMILESCC/C=C/C(=S)N(C)C
InChIInChI=1S/C7H13NS/c1-4-5-6-7(9)8(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyCTDPAXPPEPZDFM-AATRIKPKSA-N
MW143.25 g/mol
LogP1.84
Rot. Bonds2

About (E)-N,N-dimethylpent-2-enethioamide

(E)-N,N-dimethylpent-2-enethioamide (PubChem CID 13403804) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (E)-N,N-dimethylpent-2-enethioamide.

Molecular Properties

Compound Name(E)-N,N-dimethylpent-2-enethioamide
PubChem CID13403804
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(E)-N,N-dimethylpent-2-enethioamide
SMILESCC/C=C/C(=S)N(C)C
InChIInChI=1S/C7H13NS/c1-4-5-6-7(9)8(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyCTDPAXPPEPZDFM-AATRIKPKSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.84
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'}

Analyze (E)-N,N-dimethylpent-2-enethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylpent-2-enethioamide?
The IUPAC name of (E)-N,N-dimethylpent-2-enethioamide (CID 13403804) is (E)-N,N-dimethylpent-2-enethioamide.
What is the SMILES notation for (E)-N,N-dimethylpent-2-enethioamide?
The canonical SMILES for (E)-N,N-dimethylpent-2-enethioamide is CC/C=C/C(=S)N(C)C.
What is the InChIKey of (E)-N,N-dimethylpent-2-enethioamide?
The InChIKey is CTDPAXPPEPZDFM-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-5-6-7(9)8(2)3/h5-6H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-N,N-dimethylpent-2-enethioamide?
(E)-N,N-dimethylpent-2-enethioamide has a molecular weight of 143.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylpent-2-enethioamide is sourced from PubChem (CID 13403804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).