2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol

C10H23NOS — CID 114449058

IUPAC2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol
SMILESCSCCN(C)CC(C)(O)C(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)10(3,12)8-11(4)6-7-13-5/h9,12H,6-8H2,1-5H3
InChIKeyFXCVMJAIFDWHMU-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.69
Rot. Bonds6

About 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol

2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol (PubChem CID 114449058) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol
PubChem CID114449058
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol
SMILESCSCCN(C)CC(C)(O)C(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)10(3,12)8-11(4)6-7-13-5/h9,12H,6-8H2,1-5H3
InChIKeyFXCVMJAIFDWHMU-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-(3-Methylsulfanylbutyl)azetidin-3-yl]propan-2-ol
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1-[Ethyl-[2-(sulfanylmethyl)butyl]amino]-2-methylpropan-2-ol
CID 80016075
1-[Ethyl-[3-methyl-2-(sulfanylmethyl)butyl]amino]-2-methylpropan-2-ol
CID 80016439
2-Methyl-1-[methyl-[2-(sulfanylmethyl)butyl]amino]propan-2-ol
CID 80016682
2-Methyl-1-[methyl-[3-methyl-2-(sulfanylmethyl)butyl]amino]propan-2-ol
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CID 84732966
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol (CID 114449058) is 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol is CSCCN(C)CC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol?
The InChIKey is FXCVMJAIFDWHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2)10(3,12)8-11(4)6-7-13-5/h9,12H,6-8H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol?
2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol is sourced from PubChem (CID 114449058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).