2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide

C6H14N2OS — CID 90326745

IUPAC2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide
SMILESCC(C)N1CCN(C)S1=O
InChIInChI=1S/C6H14N2OS/c1-6(2)8-5-4-7(3)10(8)9/h6H,4-5H2,1-3H3
InChIKeyRVHBEWNHZZXBRH-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.22
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide

2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide (PubChem CID 90326745) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide
PubChem CID90326745
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide
SMILESCC(C)N1CCN(C)S1=O
InChIInChI=1S/C6H14N2OS/c1-6(2)8-5-4-7(3)10(8)9/h6H,4-5H2,1-3H3
InChIKeyRVHBEWNHZZXBRH-UHFFFAOYSA-N
XLogP0.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide?
The IUPAC name of 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide (CID 90326745) is 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide is CC(C)N1CCN(C)S1=O.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide?
The InChIKey is RVHBEWNHZZXBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-6(2)8-5-4-7(3)10(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide?
2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide has a molecular weight of 162.26 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,2,5-thiadiazolidine 1-oxide is sourced from PubChem (CID 90326745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).