2,3-dimethyl-1-propylsulfonylbutane

C9H20O2S — CID 172857975

IUPAC2,3-dimethyl-1-propylsulfonylbutane
SMILESCCCS(=O)(=O)CC(C)C(C)C
InChIInChI=1S/C9H20O2S/c1-5-6-12(10,11)7-9(4)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyYYWKGWBVLPHCFH-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.10
Rot. Bonds5

About 2,3-dimethyl-1-propylsulfonylbutane

2,3-dimethyl-1-propylsulfonylbutane (PubChem CID 172857975) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 2,3-dimethyl-1-propylsulfonylbutane.

Molecular Properties

Compound Name2,3-dimethyl-1-propylsulfonylbutane
PubChem CID172857975
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name2,3-dimethyl-1-propylsulfonylbutane
SMILESCCCS(=O)(=O)CC(C)C(C)C
InChIInChI=1S/C9H20O2S/c1-5-6-12(10,11)7-9(4)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyYYWKGWBVLPHCFH-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfonyl-2,3-dimethylbutane
CID 150789687
1-bromo-2-methyl-3-propylsulfonylpropane
CID 64995868
1-propylsulfonylpropane
CID 11709
4-chloro-3-methyl-1-propylsulfonylpentane
CID 106729085
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
2,3-dimethylbutane-1-sulfonyl bromide
CID 87941798
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
4-bromo-5-methyl-1-propylsulfonylhexane
CID 106729131
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
1-bromo-3-methyl-2-(pentylsulfonylmethyl)butane
CID 107746997
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propylsulfonylbutane?
The IUPAC name of 2,3-dimethyl-1-propylsulfonylbutane (CID 172857975) is 2,3-dimethyl-1-propylsulfonylbutane.
What is the SMILES notation for 2,3-dimethyl-1-propylsulfonylbutane?
The canonical SMILES for 2,3-dimethyl-1-propylsulfonylbutane is CCCS(=O)(=O)CC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-propylsulfonylbutane?
The InChIKey is YYWKGWBVLPHCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-5-6-12(10,11)7-9(4)8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-propylsulfonylbutane?
2,3-dimethyl-1-propylsulfonylbutane has a molecular weight of 192.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propylsulfonylbutane is sourced from PubChem (CID 172857975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).