2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide

C10H22N2O3S — CID 117016564

IUPAC2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCOCCN1CC(C)(C)NCCCS1(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-10(2)9-12(6-7-15-3)16(13,14)8-4-5-11-10/h11H,4-9H2,1-3H3
InChIKeyOFUZPWYGFKBFKQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.04
Rot. Bonds3

About 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide

2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117016564) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117016564
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCOCCN1CC(C)(C)NCCCS1(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-10(2)9-12(6-7-15-3)16(13,14)8-4-5-11-10/h11H,4-9H2,1-3H3
InChIKeyOFUZPWYGFKBFKQ-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117016564) is 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide is COCCN1CC(C)(C)NCCCS1(=O)=O.
What is the InChIKey of 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is OFUZPWYGFKBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2)9-12(6-7-15-3)16(13,14)8-4-5-11-10/h11H,4-9H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 250.36 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117016564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).