2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C12H18N2O2S — CID 56682394

IUPAC2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCc1ccc(CN2CCNS2(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-3-11-4-6-12(7-5-11)10-14-9-8-13-17(14,15)16/h4-7,13H,2-3,8-10H2,1H3
InChIKeyOSDQJXMQVUFTPS-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.29
Rot. Bonds4

About 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56682394) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56682394
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCc1ccc(CN2CCNS2(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-3-11-4-6-12(7-5-11)10-14-9-8-13-17(14,15)16/h4-7,13H,2-3,8-10H2,1H3
InChIKeyOSDQJXMQVUFTPS-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56682394) is 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is CCCc1ccc(CN2CCNS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is OSDQJXMQVUFTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-3-11-4-6-12(7-5-11)10-14-9-8-13-17(14,15)16/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 254.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56682394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).