2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide

C10H18O6S3 — CID 90401554

IUPAC2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1C(S(=O)(=O)C2CCS(=O)(=O)C2C)CCS1(=O)=O
InChIInChI=1S/C10H18O6S3/c1-7-9(3-5-17(7,11)12)19(15,16)10-4-6-18(13,14)8(10)2/h7-10H,3-6H2,1-2H3
InChIKeyFMPUPWQZEOCCBE-UHFFFAOYSA-N
MW330.45 g/mol
LogP-0.45
Rot. Bonds2

About 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide

2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide (PubChem CID 90401554) has the molecular formula C10H18O6S3 and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
PubChem CID90401554
Molecular FormulaC10H18O6S3
Molecular Weight330.45 g/mol
Exact Mass330.03
IUPAC Name2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1C(S(=O)(=O)C2CCS(=O)(=O)C2C)CCS1(=O)=O
InChIInChI=1S/C10H18O6S3/c1-7-9(3-5-17(7,11)12)19(15,16)10-4-6-18(13,14)8(10)2/h7-10H,3-6H2,1-2H3
InChIKeyFMPUPWQZEOCCBE-UHFFFAOYSA-N
XLogP-0.45
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 75197
(3S,4S)-3,4-bis((R)-hexylsulfinyl)tetrahydrothiophene 1,1-dioxide
CID 657958
3-(Butane-1-sulfonyl)-tetrahydro-thiophene 1,1-dioxide
CID 2829782
1,2-Bis(butylsulfonyl)ethane
CID 546356
1,1'-(1,2-Ethanediylbis(sulfonyl))bispropane
CID 19091
3-[(1,1-Dioxothiolan-3-yl)sulfonyl]thiolane-1,1-dione
CID 2829785
3-[(1,1-Dioxo-1lambda6-thiolan-3-yl)disulfanyl]-1lambda6-thiolane-1,1-dione
CID 2831223
3-(Butylsulfanyl)-1lambda~6~-thiolane-1,1-dione
CID 71365274
2-(Thiolan-2-ylsulfonyl)thiolane
CID 88130195
Sulfolanyl sulfide
CID 90401979
Butyl sulfolanyl sulfide
CID 129783098
3,3'-Thiobis(tetrahydrothiophene) 1,1,1',1'-tetraoxide
CID 4593935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide (CID 90401554) is 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide is CC1C(S(=O)(=O)C2CCS(=O)(=O)C2C)CCS1(=O)=O.
What is the InChIKey of 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
The InChIKey is FMPUPWQZEOCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6S3/c1-7-9(3-5-17(7,11)12)19(15,16)10-4-6-18(13,14)8(10)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide has a molecular weight of 330.45 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 90401554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).