N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

C15H24ClN3O3S — CID 120568084

IUPACN-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCCS(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12-6-7-13(16)11-14(12)17-15(19)5-4-10-22(20,21)18-8-2-3-9-18;/h6-7,11H,2-5,8-10,16H2,1H3,(H,17,19);1H
InChIKeyYRJIJYKLRNOOJF-UHFFFAOYSA-N
MW361.90 g/mol
LogP2.14
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (PubChem CID 120568084) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
PubChem CID120568084
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCCS(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12-6-7-13(16)11-14(12)17-15(19)5-4-10-22(20,21)18-8-2-3-9-18;/h6-7,11H,2-5,8-10,16H2,1H3,(H,17,19);1H
InChIKeyYRJIJYKLRNOOJF-UHFFFAOYSA-N
XLogP2.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 110299836
N-(5-amino-2-methylphenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 43446193
N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844619
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112845023
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (CID 120568084) is N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCCS(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The InChIKey is YRJIJYKLRNOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-12-6-7-13(16)11-14(12)17-15(19)5-4-10-22(20,21)18-8-2-3-9-18;/h6-7,11H,2-5,8-10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 120568084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).