1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea

C12H16N4O3S — CID 116645872

IUPAC1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O3S/c1-2-5-14-12(17)16-20(18,19)11-7-15-10-4-3-8(13)6-9(10)11/h3-4,6-7,15H,2,5,13H2,1H3,(H2,14,16,17)
InChIKeyMAUGAUUBCWQCNF-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.15
Rot. Bonds4

About 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea

1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea (PubChem CID 116645872) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea.

Molecular Properties

Compound Name1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
PubChem CID116645872
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O3S/c1-2-5-14-12(17)16-20(18,19)11-7-15-10-4-3-8(13)6-9(10)11/h3-4,6-7,15H,2,5,13H2,1H3,(H2,14,16,17)
InChIKeyMAUGAUUBCWQCNF-UHFFFAOYSA-N
XLogP1.15
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
CID 116645811
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
CID 64850889
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea?
The IUPAC name of 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea (CID 116645872) is 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea.
What is the SMILES notation for 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea?
The canonical SMILES for 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea is CCCNC(=O)NS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea?
The InChIKey is MAUGAUUBCWQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-5-14-12(17)16-20(18,19)11-7-15-10-4-3-8(13)6-9(10)11/h3-4,6-7,15H,2,5,13H2,1H3,(H2,14,16,17).
What are the key properties of 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea?
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea has a molecular weight of 296.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea is sourced from PubChem (CID 116645872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).