[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone

C18H27N3O4S — CID 119631558

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c1-2-14-5-6-15(18(22)21-7-3-4-16(21)13-19)12-17(14)26(23,24)20-8-10-25-11-9-20/h5-6,12,16H,2-4,7-11,13,19H2,1H3
InChIKeyOBAOEZOYNAFEBN-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.83
Rot. Bonds5

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 119631558) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID119631558
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c1-2-14-5-6-15(18(22)21-7-3-4-16(21)13-19)12-17(14)26(23,24)20-8-10-25-11-9-20/h5-6,12,16H,2-4,7-11,13,19H2,1H3
InChIKeyOBAOEZOYNAFEBN-UHFFFAOYSA-N
XLogP0.83
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone (CID 119631558) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone is CCc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is OBAOEZOYNAFEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-2-14-5-6-15(18(22)21-7-3-4-16(21)13-19)12-17(14)26(23,24)20-8-10-25-11-9-20/h5-6,12,16H,2-4,7-11,13,19H2,1H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 381.50 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 119631558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).