(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine

C8H17NO4S — CID 164580671

IUPAC(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine
SMILESCS(=O)(=O)COC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C8H17NO4S/c1-14(10,11)6-12-5-8-3-2-7(9)4-13-8/h7-8H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyUWKIWXZUWZHIHZ-SFYZADRCSA-N
MW223.29 g/mol
LogP-0.49
Rot. Bonds4

About (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine

(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine (PubChem CID 164580671) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine
PubChem CID164580671
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine
SMILESCS(=O)(=O)COC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C8H17NO4S/c1-14(10,11)6-12-5-8-3-2-7(9)4-13-8/h7-8H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyUWKIWXZUWZHIHZ-SFYZADRCSA-N
XLogP-0.49
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine?
The IUPAC name of (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine (CID 164580671) is (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine is CS(=O)(=O)COC[C@@H]1CC[C@@H](N)CO1.
What is the InChIKey of (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine?
The InChIKey is UWKIWXZUWZHIHZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-14(10,11)6-12-5-8-3-2-7(9)4-13-8/h7-8H,2-6,9H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine?
(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine has a molecular weight of 223.29 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine is sourced from PubChem (CID 164580671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).