N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine

C16H26ClN3O2S — CID 20774702

IUPACN-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
SMILESCN1CCC[C@H]1CCCNS(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN3O2S/c1-20-13-3-5-16(20)4-2-11-18-23(21,22)19-12-10-14-6-8-15(17)9-7-14/h6-9,16,18-19H,2-5,10-13H2,1H3/t16-/m1/s1
InChIKeyYQUQGWVZUAKUFV-MRXNPFEDSA-N
MW359.92 g/mol
LogP2.18
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine

N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine (PubChem CID 20774702) has the molecular formula C16H26ClN3O2S and a molecular weight of 359.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
PubChem CID20774702
Molecular FormulaC16H26ClN3O2S
Molecular Weight359.92 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
SMILESCN1CCC[C@H]1CCCNS(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN3O2S/c1-20-13-3-5-16(20)4-2-11-18-23(21,22)19-12-10-14-6-8-15(17)9-7-14/h6-9,16,18-19H,2-5,10-13H2,1H3/t16-/m1/s1
InChIKeyYQUQGWVZUAKUFV-MRXNPFEDSA-N
XLogP2.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
CID 20774720
N-[(4-chlorophenyl)methylsulfamoyl]-4-[(2S)-1-methylpyrrolidin-2-yl]butan-1-amine
CID 20774726
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
tert-butyl (2S)-2-[5-[(4-chlorophenyl)methylsulfonylamino]pentyl]pyrrolidine-1-carboxylate
CID 20774742
4-(2-hydroxyethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022553
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
1-(4-chloro-2-fluorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 72890023

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine (CID 20774702) is N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine is CN1CCC[C@H]1CCCNS(=O)(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
The InChIKey is YQUQGWVZUAKUFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26ClN3O2S/c1-20-13-3-5-16(20)4-2-11-18-23(21,22)19-12-10-14-6-8-15(17)9-7-14/h6-9,16,18-19H,2-5,10-13H2,1H3/t16-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine has a molecular weight of 359.92 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 20774702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).