N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide

C9H20N2O3S — CID 139343321

IUPACN-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCCC(C)(O)C1CNS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7-8(6-11-15(3,13)14)9(2,12)4-5-10-7/h7-8,10-12H,4-6H2,1-3H3
InChIKeyZNHXVSSZIUPVEC-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.72
Rot. Bonds3

About N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide

N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343321) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343321
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCCC(C)(O)C1CNS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7-8(6-11-15(3,13)14)9(2,12)4-5-10-7/h7-8,10-12H,4-6H2,1-3H3
InChIKeyZNHXVSSZIUPVEC-UHFFFAOYSA-N
XLogP-0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343321) is N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide is CC1NCCC(C)(O)C1CNS(C)(=O)=O.
What is the InChIKey of N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is ZNHXVSSZIUPVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7-8(6-11-15(3,13)14)9(2,12)4-5-10-7/h7-8,10-12H,4-6H2,1-3H3.
What are the key properties of N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).