N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide

C8H20N2O2S — CID 123829363

IUPACN-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide
SMILESCCC(NC)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-6-7(9-4)8(2,3)10-13(5,11)12/h7,9-10H,6H2,1-5H3
InChIKeyMHSUYRZMRPAXMA-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.31
Rot. Bonds5

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

N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide (PubChem CID 123829363) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide
PubChem CID123829363
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide
SMILESCCC(NC)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-6-7(9-4)8(2,3)10-13(5,11)12/h7,9-10H,6H2,1-5H3
InChIKeyMHSUYRZMRPAXMA-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide (CID 123829363) is N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide is CCC(NC)C(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide?
The InChIKey is MHSUYRZMRPAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-6-7(9-4)8(2,3)10-13(5,11)12/h7,9-10H,6H2,1-5H3.
What are the key properties of N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide?
N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide is sourced from PubChem (CID 123829363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).