1-methoxy-6-methylsulfonylhexan-3-amine

C8H19NO3S — CID 63192631

IUPAC1-methoxy-6-methylsulfonylhexan-3-amine
SMILESCOCCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-12-6-5-8(9)4-3-7-13(2,10)11/h8H,3-7,9H2,1-2H3
InChIKeyKCSNBNWNZYIJKJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.17
Rot. Bonds7

About 1-methoxy-6-methylsulfonylhexan-3-amine

1-methoxy-6-methylsulfonylhexan-3-amine (PubChem CID 63192631) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-methoxy-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name1-methoxy-6-methylsulfonylhexan-3-amine
PubChem CID63192631
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-methoxy-6-methylsulfonylhexan-3-amine
SMILESCOCCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-12-6-5-8(9)4-3-7-13(2,10)11/h8H,3-7,9H2,1-2H3
InChIKeyKCSNBNWNZYIJKJ-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methylsulfonylhexan-3-amine?
The IUPAC name of 1-methoxy-6-methylsulfonylhexan-3-amine (CID 63192631) is 1-methoxy-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for 1-methoxy-6-methylsulfonylhexan-3-amine?
The canonical SMILES for 1-methoxy-6-methylsulfonylhexan-3-amine is COCCC(N)CCCS(C)(=O)=O.
What is the InChIKey of 1-methoxy-6-methylsulfonylhexan-3-amine?
The InChIKey is KCSNBNWNZYIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-12-6-5-8(9)4-3-7-13(2,10)11/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-methoxy-6-methylsulfonylhexan-3-amine?
1-methoxy-6-methylsulfonylhexan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 63192631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).