3-morpholin-4-ylsulfonyl-1H-indol-5-amine

C12H15N3O3S — CID 14736107

IUPAC3-morpholin-4-ylsulfonyl-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCOCC3)c2c1
InChIInChI=1S/C12H15N3O3S/c13-9-1-2-11-10(7-9)12(8-14-11)19(16,17)15-3-5-18-6-4-15/h1-2,7-8,14H,3-6,13H2
InChIKeyBSBAAIRCUCHBDT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.77
Rot. Bonds2

About 3-morpholin-4-ylsulfonyl-1H-indol-5-amine

3-morpholin-4-ylsulfonyl-1H-indol-5-amine (PubChem CID 14736107) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-1H-indol-5-amine.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-1H-indol-5-amine
PubChem CID14736107
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-morpholin-4-ylsulfonyl-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCOCC3)c2c1
InChIInChI=1S/C12H15N3O3S/c13-9-1-2-11-10(7-9)12(8-14-11)19(16,17)15-3-5-18-6-4-15/h1-2,7-8,14H,3-6,13H2
InChIKeyBSBAAIRCUCHBDT-UHFFFAOYSA-N
XLogP0.77
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-ylsulfonyl-1H-indol-5-amine 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

3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
4-[(5-amino-1H-indol-3-yl)sulfonyl]piperazine-2,6-dione
CID 66085638
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
CID 114407791
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 114796832
[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
CID 64851482
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
CID 83218690
4-[(6-amino-1H-indol-3-yl)sulfonyl]-1,4-diazepan-2-one
CID 66000546
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
methyl 4-amino-2-morpholin-4-ylsulfonylbenzoate
CID 102930731
3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
CID 103530237
3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744
1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
CID 107212999

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-1H-indol-5-amine?
The IUPAC name of 3-morpholin-4-ylsulfonyl-1H-indol-5-amine (CID 14736107) is 3-morpholin-4-ylsulfonyl-1H-indol-5-amine.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-1H-indol-5-amine?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-1H-indol-5-amine is Nc1ccc2[nH]cc(S(=O)(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-1H-indol-5-amine?
The InChIKey is BSBAAIRCUCHBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-9-1-2-11-10(7-9)12(8-14-11)19(16,17)15-3-5-18-6-4-15/h1-2,7-8,14H,3-6,13H2.
What are the key properties of 3-morpholin-4-ylsulfonyl-1H-indol-5-amine?
3-morpholin-4-ylsulfonyl-1H-indol-5-amine has a molecular weight of 281.34 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-1H-indol-5-amine is sourced from PubChem (CID 14736107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).