2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide

C10H21NO2S — CID 58052595

IUPAC2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)CCCN1CCCS1(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)6-4-7-11-8-5-9-14(11,12)13/h4-9H2,1-3H3
InChIKeyMBEZATCUSDVIIZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds3

About 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide

2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 58052595) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID58052595
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)CCCN1CCCS1(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)6-4-7-11-8-5-9-14(11,12)13/h4-9H2,1-3H3
InChIKeyMBEZATCUSDVIIZ-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide (CID 58052595) is 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide is CC(C)(C)CCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MBEZATCUSDVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)6-4-7-11-8-5-9-14(11,12)13/h4-9H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide?
2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 219.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).