N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine

C11H23NO2S — CID 107758395

IUPACN-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
SMILESCCNC(CC)CS(=O)C1CCOC1C
InChIInChI=1S/C11H23NO2S/c1-4-10(12-5-2)8-15(13)11-6-7-14-9(11)3/h9-12H,4-8H2,1-3H3
InChIKeyXLZHXRWOHDFSBU-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.30
Rot. Bonds6

About N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine

N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine (PubChem CID 107758395) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
PubChem CID107758395
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
SMILESCCNC(CC)CS(=O)C1CCOC1C
InChIInChI=1S/C11H23NO2S/c1-4-10(12-5-2)8-15(13)11-6-7-14-9(11)3/h9-12H,4-8H2,1-3H3
InChIKeyXLZHXRWOHDFSBU-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine (CID 107758395) is N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine is CCNC(CC)CS(=O)C1CCOC1C.
What is the InChIKey of N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
The InChIKey is XLZHXRWOHDFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-10(12-5-2)8-15(13)11-6-7-14-9(11)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine is sourced from PubChem (CID 107758395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).