N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide

C9H20N2O2S — CID 139343585

IUPACN-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCCC1NCCCC1CNS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-3-9-8(5-4-6-10-9)7-11-14(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyVFANBMJUQJVWSE-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.31
Rot. Bonds4

About N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide

N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343585) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343585
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCCC1NCCCC1CNS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-3-9-8(5-4-6-10-9)7-11-14(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyVFANBMJUQJVWSE-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2,3-diethylpiperidine
CID 89278402
2,3-diethylpiperidine;ethane
CID 144800386
2,3-diethylpiperidine;propane
CID 143653277
1-cyclopropyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734181
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylpropane-2-sulfonamide
CID 82735476
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylpropane-1-sulfonamide
CID 82734754
1-(3-methylpiperidin-2-yl)-N-(methylsulfamoyl)methanamine
CID 114807536
N-[(3-ethylpiperidin-2-yl)methyl]benzenesulfonamide
CID 82734868
ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine
CID 168902447
N-[(3-ethylpiperidin-2-yl)methyl]acetamide
CID 82734521

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343585) is N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide is CCC1NCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is VFANBMJUQJVWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-9-8(5-4-6-10-9)7-11-14(2,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).