N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C11H15N3O3S — CID 28754114

IUPACN-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H15N3O3S/c12-4-1-5-13-18(16,17)9-2-3-10-8(6-9)7-11(15)14-10/h2-3,6,13H,1,4-5,7,12H2,(H,14,15)
InChIKeyJKROJNSQHJPONU-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.19
Rot. Bonds5

About N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 28754114) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID28754114
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H15N3O3S/c12-4-1-5-13-18(16,17)9-2-3-10-8(6-9)7-11(15)14-10/h2-3,6,13H,1,4-5,7,12H2,(H,14,15)
InChIKeyJKROJNSQHJPONU-UHFFFAOYSA-N
XLogP-0.19
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110357511
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110371283
N-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43605776
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
CID 104972452
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
N-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110782261

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 28754114) is N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is NCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is JKROJNSQHJPONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-4-1-5-13-18(16,17)9-2-3-10-8(6-9)7-11(15)14-10/h2-3,6,13H,1,4-5,7,12H2,(H,14,15).
What are the key properties of N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 28754114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).