N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide

C10H20N2O4S — CID 110139494

IUPACN-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide
SMILESC=CCN1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-5-12-6-4-10(14,9(13)7-12)8-11-17(2,15)16/h3,9,11,13-14H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyQALPKENLJOKXAO-NXEZZACHSA-N
MW264.35 g/mol
LogP-1.48
Rot. Bonds5

About N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide

N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide (PubChem CID 110139494) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide
PubChem CID110139494
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide
SMILESC=CCN1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-5-12-6-4-10(14,9(13)7-12)8-11-17(2,15)16/h3,9,11,13-14H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyQALPKENLJOKXAO-NXEZZACHSA-N
XLogP-1.48
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide (CID 110139494) is N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide is C=CCN1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1.
What is the InChIKey of N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is QALPKENLJOKXAO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-5-12-6-4-10(14,9(13)7-12)8-11-17(2,15)16/h3,9,11,13-14H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide?
N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3,4-dihydroxy-1-prop-2-enylpiperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110139494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).