3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide

C14H26O6S3 — CID 90401508

IUPAC3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide
SMILESCCCC1C(S(=O)(=O)C2CCS(=O)(=O)C2CCC)CCS1(=O)=O
InChIInChI=1S/C14H26O6S3/c1-3-5-11-13(7-9-21(11,15)16)23(19,20)14-8-10-22(17,18)12(14)6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyJCXVAVNUEMWVCA-UHFFFAOYSA-N
MW386.56 g/mol
LogP1.11
Rot. Bonds6

About 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide

3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide (PubChem CID 90401508) has the molecular formula C14H26O6S3 and a molecular weight of 386.56 g/mol. Its IUPAC name is 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide
PubChem CID90401508
Molecular FormulaC14H26O6S3
Molecular Weight386.56 g/mol
Exact Mass386.09
IUPAC Name3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide
SMILESCCCC1C(S(=O)(=O)C2CCS(=O)(=O)C2CCC)CCS1(=O)=O
InChIInChI=1S/C14H26O6S3/c1-3-5-11-13(7-9-21(11,15)16)23(19,20)14-8-10-22(17,18)12(14)6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyJCXVAVNUEMWVCA-UHFFFAOYSA-N
XLogP1.11
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide?
The IUPAC name of 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide (CID 90401508) is 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide?
The canonical SMILES for 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide is CCCC1C(S(=O)(=O)C2CCS(=O)(=O)C2CCC)CCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide?
The InChIKey is JCXVAVNUEMWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6S3/c1-3-5-11-13(7-9-21(11,15)16)23(19,20)14-8-10-22(17,18)12(14)6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide?
3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide has a molecular weight of 386.56 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide is sourced from PubChem (CID 90401508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).