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

C9H19NO3S — CID 170129985

IUPAC2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCOC(C)CCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(13-2)5-3-6-10-7-4-8-14(10,11)12/h9H,3-8H2,1-2H3
InChIKeyQDNUIZPAMSAZCZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds5

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

2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 170129985) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID170129985
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCOC(C)CCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(13-2)5-3-6-10-7-4-8-14(10,11)12/h9H,3-8H2,1-2H3
InChIKeyQDNUIZPAMSAZCZ-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide (CID 170129985) is 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide is COC(C)CCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QDNUIZPAMSAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(13-2)5-3-6-10-7-4-8-14(10,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide?
2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypentyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 170129985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).