2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide

C15H23N3O2S — CID 106062321

IUPAC2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O2S/c19-21(20,12-9-16-13-3-4-13)17-14-5-7-15(8-6-14)18-10-1-2-11-18/h5-8,13,16-17H,1-4,9-12H2
InChIKeyJCASOQXSNDAXMN-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.78
Rot. Bonds7

About 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide

2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide (PubChem CID 106062321) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
PubChem CID106062321
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O2S/c19-21(20,12-9-16-13-3-4-13)17-14-5-7-15(8-6-14)18-10-1-2-11-18/h5-8,13,16-17H,1-4,9-12H2
InChIKeyJCASOQXSNDAXMN-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide 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

1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 106074519
2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 106059440
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide (CID 106062321) is 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide is O=S(=O)(CCNC1CC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide?
The InChIKey is JCASOQXSNDAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20,12-9-16-13-3-4-13)17-14-5-7-15(8-6-14)18-10-1-2-11-18/h5-8,13,16-17H,1-4,9-12H2.
What are the key properties of 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide?
2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 106062321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).