3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione

C10H15NO2S — CID 11658566

IUPAC3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione
SMILESC=C(C)[C@H](C(C)C)N1C(=O)CSC1=O
InChIInChI=1S/C10H15NO2S/c1-6(2)9(7(3)4)11-8(12)5-14-10(11)13/h7,9H,1,5H2,2-4H3/t9-/m1/s1
InChIKeyBSSKMQFGHQNYPC-SECBINFHSA-N
MW213.30 g/mol
LogP2.28
Rot. Bonds3

About 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione

3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 11658566) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID11658566
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione
SMILESC=C(C)[C@H](C(C)C)N1C(=O)CSC1=O
InChIInChI=1S/C10H15NO2S/c1-6(2)9(7(3)4)11-8(12)5-14-10(11)13/h7,9H,1,5H2,2-4H3/t9-/m1/s1
InChIKeyBSSKMQFGHQNYPC-SECBINFHSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione (CID 11658566) is 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione is C=C(C)[C@H](C(C)C)N1C(=O)CSC1=O.
What is the InChIKey of 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BSSKMQFGHQNYPC-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6(2)9(7(3)4)11-8(12)5-14-10(11)13/h7,9H,1,5H2,2-4H3/t9-/m1/s1.
What are the key properties of 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione?
3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 213.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11658566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).