N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide

C10H23N3O2S — CID 50954696

IUPACN-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCN1CCC(NCCN(C)S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-12-7-4-10(5-8-12)11-6-9-13(2)16(3,14)15/h10-11H,4-9H2,1-3H3
InChIKeyUGMNITKZFGTWHZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.44
Rot. Bonds5

About N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide

N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 50954696) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID50954696
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCN1CCC(NCCN(C)S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-12-7-4-10(5-8-12)11-6-9-13(2)16(3,14)15/h10-11H,4-9H2,1-3H3
InChIKeyUGMNITKZFGTWHZ-UHFFFAOYSA-N
XLogP-0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide (CID 50954696) is N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide is CN1CCC(NCCN(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is UGMNITKZFGTWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-12-7-4-10(5-8-12)11-6-9-13(2)16(3,14)15/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide?
N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 50954696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).