N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide

C10H22N2O3S — CID 139343638

IUPACN-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCC(C)C(C)(O)C1CNS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7-5-11-8(2)9(10(7,3)13)6-12-16(4,14)15/h7-9,11-13H,5-6H2,1-4H3
InChIKeyZEPYPZGDCGPGLY-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.47
Rot. Bonds3

About N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide

N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343638) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343638
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCC(C)C(C)(O)C1CNS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7-5-11-8(2)9(10(7,3)13)6-12-16(4,14)15/h7-9,11-13H,5-6H2,1-4H3
InChIKeyZEPYPZGDCGPGLY-UHFFFAOYSA-N
XLogP-0.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343638) is N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide is CC1NCC(C)C(C)(O)C1CNS(C)(=O)=O.
What is the InChIKey of N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is ZEPYPZGDCGPGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-7-5-11-8(2)9(10(7,3)13)6-12-16(4,14)15/h7-9,11-13H,5-6H2,1-4H3.
What are the key properties of N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).