2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane

C8H21NOS — CID 91033372

IUPAC2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane
SMILESCCC(C)(C)OS(C)(N)CC
InChIInChI=1S/C8H21NOS/c1-6-8(3,4)10-11(5,9)7-2/h6-7,9H2,1-5H3
InChIKeyVSVRBONAFRIMKA-UHFFFAOYSA-N
MW179.33 g/mol
LogP2.43
Rot. Bonds4

About 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane

2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane (PubChem CID 91033372) has the molecular formula C8H21NOS and a molecular weight of 179.33 g/mol. Its IUPAC name is 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane.

Molecular Properties

Compound Name2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane
PubChem CID91033372
Molecular FormulaC8H21NOS
Molecular Weight179.33 g/mol
Exact Mass179.13
IUPAC Name2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane
SMILESCCC(C)(C)OS(C)(N)CC
InChIInChI=1S/C8H21NOS/c1-6-8(3,4)10-11(5,9)7-2/h6-7,9H2,1-5H3
InChIKeyVSVRBONAFRIMKA-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane?
The IUPAC name of 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane (CID 91033372) is 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane.
What is the SMILES notation for 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane?
The canonical SMILES for 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane is CCC(C)(C)OS(C)(N)CC.
What is the InChIKey of 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane?
The InChIKey is VSVRBONAFRIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NOS/c1-6-8(3,4)10-11(5,9)7-2/h6-7,9H2,1-5H3.
What are the key properties of 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane?
2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane has a molecular weight of 179.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(amino-ethyl-methyl-λ4-sulfanyl)oxy-2-methylbutane is sourced from PubChem (CID 91033372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).