2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide

C8H18N2O2S — CID 123783558

IUPAC2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCC(C)CCN1CCNS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-8(2)4-6-10-7-5-9-13(10,11)12/h8-9H,3-7H2,1-2H3
InChIKeyDJQRYEMKXHDJML-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.57
Rot. Bonds4

About 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 123783558) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID123783558
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCC(C)CCN1CCNS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-8(2)4-6-10-7-5-9-13(10,11)12/h8-9H,3-7H2,1-2H3
InChIKeyDJQRYEMKXHDJML-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 123783558) is 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide is CCC(C)CCN1CCNS1(=O)=O.
What is the InChIKey of 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is DJQRYEMKXHDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-8(2)4-6-10-7-5-9-13(10,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 206.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 123783558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).