5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C12H25NO2S — CID 67806897

IUPAC5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CCCC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C12H25NO2S/c1-10(2)6-5-7-12-8-9-13(11(3)4)16(12,14)15/h10-12H,5-9H2,1-4H3
InChIKeyGMFUERHTQFBZNV-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.63
Rot. Bonds5

About 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 67806897) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID67806897
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CCCC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C12H25NO2S/c1-10(2)6-5-7-12-8-9-13(11(3)4)16(12,14)15/h10-12H,5-9H2,1-4H3
InChIKeyGMFUERHTQFBZNV-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 67806897) is 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CC(C)CCCC1CCN(C(C)C)S1(=O)=O.
What is the InChIKey of 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is GMFUERHTQFBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)6-5-7-12-8-9-13(11(3)4)16(12,14)15/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 247.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67806897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).