(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol

C14H25NOS — CID 15906524

IUPAC(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCSCC2)C1
InChIInChI=1S/C14H25NOS/c1-11(2)12-4-5-14(3,16)13(10-12)15-6-8-17-9-7-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyFLNVMXBLSHSGAM-RDBSUJKOSA-N
MW255.43 g/mol
LogP2.53
Rot. Bonds2

About (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol

(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol (PubChem CID 15906524) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol
PubChem CID15906524
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCSCC2)C1
InChIInChI=1S/C14H25NOS/c1-11(2)12-4-5-14(3,16)13(10-12)15-6-8-17-9-7-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyFLNVMXBLSHSGAM-RDBSUJKOSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.53
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 (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol (CID 15906524) is (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCSCC2)C1.
What is the InChIKey of (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol?
The InChIKey is FLNVMXBLSHSGAM-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H25NOS/c1-11(2)12-4-5-14(3,16)13(10-12)15-6-8-17-9-7-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol?
(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol has a molecular weight of 255.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-thiomorpholin-4-ylcyclohexan-1-ol is sourced from PubChem (CID 15906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).