N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide

C8H18N2O3S — CID 139343242

IUPACN-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide
SMILESCOC1CCNC(CNS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O3S/c1-13-8-3-4-9-7(5-8)6-10-14(2,11)12/h7-10H,3-6H2,1-2H3
InChIKeyNTPFLWHZKRYZCU-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.70
Rot. Bonds4

About N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide

N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide (PubChem CID 139343242) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide
PubChem CID139343242
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide
SMILESCOC1CCNC(CNS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O3S/c1-13-8-3-4-9-7(5-8)6-10-14(2,11)12/h7-10H,3-6H2,1-2H3
InChIKeyNTPFLWHZKRYZCU-UHFFFAOYSA-N
XLogP-0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide (CID 139343242) is N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide is COC1CCNC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide?
The InChIKey is NTPFLWHZKRYZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-8-3-4-9-7(5-8)6-10-14(2,11)12/h7-10H,3-6H2,1-2H3.
What are the key properties of N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide?
N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypiperidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).