N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine

C15H27N5O2S — CID 71872437

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C15H27N5O2S/c1-18(11-14-16-17-15(19(14)2)12-4-5-12)13-6-7-20(10-13)8-9-23(3,21)22/h12-13H,4-11H2,1-3H3
InChIKeyRHECECJTAYGUOT-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.24
Rot. Bonds7

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine (PubChem CID 71872437) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
PubChem CID71872437
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C15H27N5O2S/c1-18(11-14-16-17-15(19(14)2)12-4-5-12)13-6-7-20(10-13)8-9-23(3,21)22/h12-13H,4-11H2,1-3H3
InChIKeyRHECECJTAYGUOT-UHFFFAOYSA-N
XLogP0.24
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine 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-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine (CID 71872437) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine is CN(Cc1nnc(C2CC2)n1C)C1CCN(CCS(C)(=O)=O)C1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The InChIKey is RHECECJTAYGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-18(11-14-16-17-15(19(14)2)12-4-5-12)13-6-7-20(10-13)8-9-23(3,21)22/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine has a molecular weight of 341.48 g/mol, XLogP of 0.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).