2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane

C10H22O4S2 — CID 172843003

IUPAC2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane
SMILESCCC(S(C)(=O)=O)S(=O)(=O)CC(C)C(C)C
InChIInChI=1S/C10H22O4S2/c1-6-10(15(5,11)12)16(13,14)7-9(4)8(2)3/h8-10H,6-7H2,1-5H3
InChIKeyXAYMJICMURVZLN-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.47
Rot. Bonds6

About 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane

2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane (PubChem CID 172843003) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane
PubChem CID172843003
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane
SMILESCCC(S(C)(=O)=O)S(=O)(=O)CC(C)C(C)C
InChIInChI=1S/C10H22O4S2/c1-6-10(15(5,11)12)16(13,14)7-9(4)8(2)3/h8-10H,6-7H2,1-5H3
InChIKeyXAYMJICMURVZLN-UHFFFAOYSA-N
XLogP1.47
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-bis(methylsulfonyl)propane
CID 19348890
1-ethylsulfonyl-2,3-dimethylbutane
CID 150789687
2,3-dimethyl-1-propan-2-ylsulfonylpentane
CID 166894384
2,3-dimethylbutane-1-sulfonyl bromide
CID 87941798
2,3-dimethyl-1-propylsulfonylbutane
CID 172857975
cyclobutane;2,3-dimethylpentane
CID 145154125
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
4-methyl-2-methylsulfonylhexan-3-amine
CID 105017498
(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
CID 58573491
1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
CID 107759266
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
2-methylsulfonylpropane
CID 163990602

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane?
The IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane (CID 172843003) is 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane.
What is the SMILES notation for 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane?
The canonical SMILES for 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane is CCC(S(C)(=O)=O)S(=O)(=O)CC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane?
The InChIKey is XAYMJICMURVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-6-10(15(5,11)12)16(13,14)7-9(4)8(2)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane?
2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane has a molecular weight of 270.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane is sourced from PubChem (CID 172843003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).