[(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol

C13H24N2O4S — CID 97120728

IUPAC[(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-4-13(12-16)5-3-6-15(11-13)20(17,18)14-7-9-19-10-8-14/h2,16H,1,3-12H2/t13-/m1/s1
InChIKeyWWGYNPLKESCEKU-CYBMUJFWSA-N
MW304.41 g/mol
LogP0.21
Rot. Bonds5

About [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol

[(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97120728) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97120728
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name[(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-4-13(12-16)5-3-6-15(11-13)20(17,18)14-7-9-19-10-8-14/h2,16H,1,3-12H2/t13-/m1/s1
InChIKeyWWGYNPLKESCEKU-CYBMUJFWSA-N
XLogP0.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol (CID 97120728) is [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@@]1(CO)CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is WWGYNPLKESCEKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-4-13(12-16)5-3-6-15(11-13)20(17,18)14-7-9-19-10-8-14/h2,16H,1,3-12H2/t13-/m1/s1.
What are the key properties of [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
[(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 304.41 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-morpholin-4-ylsulfonyl-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97120728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).