3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine

C15H35NO2S — CID 165078311

IUPAC3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine
SMILESCC(C)(C)CCS(C)(=O)=O.CN(C)CCC(C)(C)C
InChIInChI=1S/C8H19N.C7H16O2S/c1-8(2,3)6-7-9(4)5;1-7(2,3)5-6-10(4,8)9/h6-7H2,1-5H3;5-6H2,1-4H3
InChIKeyURQVIFQLOYUKTC-UHFFFAOYSA-N
MW293.52 g/mol
LogP3.45
Rot. Bonds4

About 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine

3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine (PubChem CID 165078311) has the molecular formula C15H35NO2S and a molecular weight of 293.52 g/mol. Its IUPAC name is 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine
PubChem CID165078311
Molecular FormulaC15H35NO2S
Molecular Weight293.52 g/mol
Exact Mass293.24
IUPAC Name3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine
SMILESCC(C)(C)CCS(C)(=O)=O.CN(C)CCC(C)(C)C
InChIInChI=1S/C8H19N.C7H16O2S/c1-8(2,3)6-7-9(4)5;1-7(2,3)5-6-10(4,8)9/h6-7H2,1-5H3;5-6H2,1-4H3
InChIKeyURQVIFQLOYUKTC-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine (CID 165078311) is 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine is CC(C)(C)CCS(C)(=O)=O.CN(C)CCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine?
The InChIKey is URQVIFQLOYUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H16O2S/c1-8(2,3)6-7-9(4)5;1-7(2,3)5-6-10(4,8)9/h6-7H2,1-5H3;5-6H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine?
3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-methylsulfonylbutane;N,N,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 165078311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).