(3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine

C8H17NOS — CID 130197716

IUPAC(3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine
SMILESCSCC[C@@H]1CC[C@H](N)CO1
InChIInChI=1S/C8H17NOS/c1-11-5-4-8-3-2-7(9)6-10-8/h7-8H,2-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyMYTKWEMMBQXJNV-YUMQZZPRSA-N
MW175.30 g/mol
LogP1.25
Rot. Bonds3

About (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine

(3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine (PubChem CID 130197716) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine
PubChem CID130197716
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine
SMILESCSCC[C@@H]1CC[C@H](N)CO1
InChIInChI=1S/C8H17NOS/c1-11-5-4-8-3-2-7(9)6-10-8/h7-8H,2-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyMYTKWEMMBQXJNV-YUMQZZPRSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine?
The IUPAC name of (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine (CID 130197716) is (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine.
What is the SMILES notation for (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine?
The canonical SMILES for (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine is CSCC[C@@H]1CC[C@H](N)CO1.
What is the InChIKey of (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine?
The InChIKey is MYTKWEMMBQXJNV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-5-4-8-3-2-7(9)6-10-8/h7-8H,2-6,9H2,1H3/t7-,8-/m0/s1.
What are the key properties of (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine?
(3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine has a molecular weight of 175.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-(2-methylsulfanylethyl)oxan-3-amine is sourced from PubChem (CID 130197716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).