2-methoxy-6-methylsulfonylhexan-3-amine

C8H19NO3S — CID 79617509

IUPAC2-methoxy-6-methylsulfonylhexan-3-amine
SMILESCOC(C)C(N)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(12-2)8(9)5-4-6-13(3,10)11/h7-8H,4-6,9H2,1-3H3
InChIKeyOACVWHUJGVHBSS-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.17
Rot. Bonds6

About 2-methoxy-6-methylsulfonylhexan-3-amine

2-methoxy-6-methylsulfonylhexan-3-amine (PubChem CID 79617509) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methoxy-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name2-methoxy-6-methylsulfonylhexan-3-amine
PubChem CID79617509
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-methoxy-6-methylsulfonylhexan-3-amine
SMILESCOC(C)C(N)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(12-2)8(9)5-4-6-13(3,10)11/h7-8H,4-6,9H2,1-3H3
InChIKeyOACVWHUJGVHBSS-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 103214794
(3R,6S)-6-(methylsulfonylmethyl)oxan-3-amine
CID 68310072
(3R,6S)-6-(methylsulfonylmethyl)oxan-3-amine;hydrochloride
CID 70871986
(1R)-2-methylsulfonyl-1-(oxan-2-yl)ethanamine
CID 137531116
1-Methoxy-5-methylsulfonylpentan-2-amine
CID 62318908
5-Ethylsulfonyl-1-methoxypentan-2-amine
CID 62319088
1-methoxy-N-methyl-5-methylsulfonylpentan-2-amine
CID 62320364
4-Methylsulfonyl-1-propoxybutan-2-amine
CID 62603396
1-Methoxy-6-methylsulfonylhexan-2-amine
CID 63191860
5-Methylsulfonyl-1-propoxypentan-2-amine
CID 63192588
1-Methoxy-6-methylsulfonylhexan-3-amine
CID 63192631
2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine
CID 64533207

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylsulfonylhexan-3-amine?
The IUPAC name of 2-methoxy-6-methylsulfonylhexan-3-amine (CID 79617509) is 2-methoxy-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for 2-methoxy-6-methylsulfonylhexan-3-amine?
The canonical SMILES for 2-methoxy-6-methylsulfonylhexan-3-amine is COC(C)C(N)CCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-6-methylsulfonylhexan-3-amine?
The InChIKey is OACVWHUJGVHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(12-2)8(9)5-4-6-13(3,10)11/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 2-methoxy-6-methylsulfonylhexan-3-amine?
2-methoxy-6-methylsulfonylhexan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 79617509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).