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

C7H15NOS — CID 134289698

IUPAC(3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine
SMILESCSC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C7H15NOS/c1-10-5-7-3-2-6(8)4-9-7/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyRFEHPCYCHZTCJS-RQJHMYQMSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds2

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

(3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine (PubChem CID 134289698) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine
PubChem CID134289698
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine
SMILESCSC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C7H15NOS/c1-10-5-7-3-2-6(8)4-9-7/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyRFEHPCYCHZTCJS-RQJHMYQMSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine?
The IUPAC name of (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine (CID 134289698) is (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine is CSC[C@@H]1CC[C@@H](N)CO1.
What is the InChIKey of (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine?
The InChIKey is RFEHPCYCHZTCJS-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10-5-7-3-2-6(8)4-9-7/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine?
(3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine is sourced from PubChem (CID 134289698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).