N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride

C13H20ClN3O3S — CID 119406138

IUPACN-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NCCCN)ccc21.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-20(18,19)16-8-5-10-9-11(3-4-12(10)16)13(17)15-7-2-6-14;/h3-4,9H,2,5-8,14H2,1H3,(H,15,17);1H
InChIKeyBFQPAFJBAJNUJD-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.51
Rot. Bonds5

About N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride

N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride (PubChem CID 119406138) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
PubChem CID119406138
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NCCCN)ccc21.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-20(18,19)16-8-5-10-9-11(3-4-12(10)16)13(17)15-7-2-6-14;/h3-4,9H,2,5-8,14H2,1H3,(H,15,17);1H
InChIKeyBFQPAFJBAJNUJD-UHFFFAOYSA-N
XLogP0.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
N-(3-cyclopentylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38857095
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
1-methylsulfonyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydroindole-5-carboxamide
CID 55742076
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
2-[2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242130
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride (CID 119406138) is N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride is CS(=O)(=O)N1CCc2cc(C(=O)NCCCN)ccc21.Cl.
What is the InChIKey of N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The InChIKey is BFQPAFJBAJNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-20(18,19)16-8-5-10-9-11(3-4-12(10)16)13(17)15-7-2-6-14;/h3-4,9H,2,5-8,14H2,1H3,(H,15,17);1H.
What are the key properties of N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119406138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).