3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine

C8H19NO3S — CID 64646902

IUPAC3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)CCOC
InChIInChI=1S/C8H19NO3S/c1-7(9-3)8(2)13(10,11)6-5-12-4/h7-9H,5-6H2,1-4H3
InChIKeyRKHVZQRLEQHURS-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.04
Rot. Bonds6

About 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine

3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine (PubChem CID 64646902) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
PubChem CID64646902
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)CCOC
InChIInChI=1S/C8H19NO3S/c1-7(9-3)8(2)13(10,11)6-5-12-4/h7-9H,5-6H2,1-4H3
InChIKeyRKHVZQRLEQHURS-UHFFFAOYSA-N
XLogP0.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine (CID 64646902) is 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine is CNC(C)C(C)S(=O)(=O)CCOC.
What is the InChIKey of 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine?
The InChIKey is RKHVZQRLEQHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(9-3)8(2)13(10,11)6-5-12-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine?
3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64646902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).