N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide

C10H23N3O3S — CID 55009732

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C10H23N3O3S/c1-13-5-3-10(9-11,4-6-13)12-17(14,15)8-7-16-2/h12H,3-9,11H2,1-2H3
InChIKeyAMWUDHHMMJOFEM-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.02
Rot. Bonds6

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide (PubChem CID 55009732) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide
PubChem CID55009732
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C10H23N3O3S/c1-13-5-3-10(9-11,4-6-13)12-17(14,15)8-7-16-2/h12H,3-9,11H2,1-2H3
InChIKeyAMWUDHHMMJOFEM-UHFFFAOYSA-N
XLogP-1.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide (CID 55009732) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(CN)CCN(C)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide?
The InChIKey is AMWUDHHMMJOFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-13-5-3-10(9-11,4-6-13)12-17(14,15)8-7-16-2/h12H,3-9,11H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide has a molecular weight of 265.38 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).