(2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol

C11H21NOS — CID 178185654

IUPAC(2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N1CCSCC1
InChIInChI=1S/C11H21NOS/c1-4-5-11(3,13)10(2)12-6-8-14-9-7-12/h4,10,13H,1,5-9H2,2-3H3/t10-,11+/m1/s1
InChIKeyLPGAHMATURRVCO-MNOVXSKESA-N
MW215.36 g/mol
LogP1.75
Rot. Bonds4

About (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol

(2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol (PubChem CID 178185654) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol
PubChem CID178185654
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N1CCSCC1
InChIInChI=1S/C11H21NOS/c1-4-5-11(3,13)10(2)12-6-8-14-9-7-12/h4,10,13H,1,5-9H2,2-3H3/t10-,11+/m1/s1
InChIKeyLPGAHMATURRVCO-MNOVXSKESA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol (CID 178185654) is (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol is C=CC[C@](C)(O)[C@@H](C)N1CCSCC1.
What is the InChIKey of (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol?
The InChIKey is LPGAHMATURRVCO-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-5-11(3,13)10(2)12-6-8-14-9-7-12/h4,10,13H,1,5-9H2,2-3H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol?
(2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol has a molecular weight of 215.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-thiomorpholin-4-ylhex-5-en-3-ol is sourced from PubChem (CID 178185654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).