N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide

C13H27N3O2S — CID 75431194

IUPACN-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCC1CCCN1C1CCN(CCNS(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O2S/c1-12-4-3-8-16(12)13-5-9-15(10-6-13)11-7-14-19(2,17)18/h12-14H,3-11H2,1-2H3
InChIKeyQUKGEMBGDOWIDL-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.48
Rot. Bonds5

About N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide

N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 75431194) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID75431194
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCC1CCCN1C1CCN(CCNS(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O2S/c1-12-4-3-8-16(12)13-5-9-15(10-6-13)11-7-14-19(2,17)18/h12-14H,3-11H2,1-2H3
InChIKeyQUKGEMBGDOWIDL-UHFFFAOYSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]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-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide (CID 75431194) is N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide is CC1CCCN1C1CCN(CCNS(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is QUKGEMBGDOWIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-4-3-8-16(12)13-5-9-15(10-6-13)11-7-14-19(2,17)18/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 75431194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).