N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium

C10H19N2O4SY- — CID 155605794

IUPACN-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium
SMILESCS(=O)(=O)N[C@H]1[CH-][C@@H](N2CCOCC2)COC1.[Y]
InChIInChI=1S/C10H19N2O4S.Y/c1-17(13,14)11-9-6-10(8-16-7-9)12-2-4-15-5-3-12;/h6,9-11H,2-5,7-8H2,1H3;/q-1;/t9-,10+;/m0./s1
InChIKeyORCBIDZFPVQPQK-BAUSSPIASA-N
MW352.25 g/mol
LogP-1.16
Rot. Bonds3

About N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium

N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium (PubChem CID 155605794) has the molecular formula C10H19N2O4SY- and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium.

Molecular Properties

Compound NameN-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium
PubChem CID155605794
Molecular FormulaC10H19N2O4SY-
Molecular Weight352.25 g/mol
Exact Mass352.01
IUPAC NameN-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium
SMILESCS(=O)(=O)N[C@H]1[CH-][C@@H](N2CCOCC2)COC1.[Y]
InChIInChI=1S/C10H19N2O4S.Y/c1-17(13,14)11-9-6-10(8-16-7-9)12-2-4-15-5-3-12;/h6,9-11H,2-5,7-8H2,1H3;/q-1;/t9-,10+;/m0./s1
InChIKeyORCBIDZFPVQPQK-BAUSSPIASA-N
XLogP-1.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium?
The IUPAC name of N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium (CID 155605794) is N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium.
What is the SMILES notation for N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium?
The canonical SMILES for N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium is CS(=O)(=O)N[C@H]1[CH-][C@@H](N2CCOCC2)COC1.[Y].
What is the InChIKey of N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium?
The InChIKey is ORCBIDZFPVQPQK-BAUSSPIASA-N. The full InChI is InChI=1S/C10H19N2O4S.Y/c1-17(13,14)11-9-6-10(8-16-7-9)12-2-4-15-5-3-12;/h6,9-11H,2-5,7-8H2,1H3;/q-1;/t9-,10+;/m0./s1.
What are the key properties of N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium?
N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium has a molecular weight of 352.25 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-morpholin-4-yl-3,4,5,6-tetrahydro-2H-pyran-4-id-3-yl]methanesulfonamide;yttrium is sourced from PubChem (CID 155605794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).