N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine

C15H29N5O2S — CID 71928262

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CCS(=O)(=O)CC)C1
InChIInChI=1S/C15H29N5O2S/c1-5-20-13(3)16-17-15(20)12-18(4)14-7-8-19(11-14)9-10-23(21,22)6-2/h14H,5-12H2,1-4H3
InChIKeyOBHMWTAAOYYRAA-UHFFFAOYSA-N
MW343.50 g/mol
LogP0.55
Rot. Bonds8

About N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine (PubChem CID 71928262) has the molecular formula C15H29N5O2S and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine
PubChem CID71928262
Molecular FormulaC15H29N5O2S
Molecular Weight343.50 g/mol
Exact Mass343.20
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CCS(=O)(=O)CC)C1
InChIInChI=1S/C15H29N5O2S/c1-5-20-13(3)16-17-15(20)12-18(4)14-7-8-19(11-14)9-10-23(21,22)6-2/h14H,5-12H2,1-4H3
InChIKeyOBHMWTAAOYYRAA-UHFFFAOYSA-N
XLogP0.55
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-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-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine (CID 71928262) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(CCS(=O)(=O)CC)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is OBHMWTAAOYYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2S/c1-5-20-13(3)16-17-15(20)12-18(4)14-7-8-19(11-14)9-10-23(21,22)6-2/h14H,5-12H2,1-4H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 343.50 g/mol, XLogP of 0.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethylsulfonylethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).