5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide

C13H18N4O3S — CID 106233539

IUPAC5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H18N4O3S/c14-9-4-5-11-10(7-9)12(8-16-11)21(19,20)17-6-2-1-3-13(15)18/h4-5,7-8,16-17H,1-3,6,14H2,(H2,15,18)
InChIKeyACGCHZKVSJXOPI-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.68
Rot. Bonds7

About 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide

5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide (PubChem CID 106233539) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
PubChem CID106233539
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H18N4O3S/c14-9-4-5-11-10(7-9)12(8-16-11)21(19,20)17-6-2-1-3-13(15)18/h4-5,7-8,16-17H,1-3,6,14H2,(H2,15,18)
InChIKeyACGCHZKVSJXOPI-UHFFFAOYSA-N
XLogP0.68
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
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-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide (CID 106233539) is 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide is NC(=O)CCCCNS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide?
The InChIKey is ACGCHZKVSJXOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-9-4-5-11-10(7-9)12(8-16-11)21(19,20)17-6-2-1-3-13(15)18/h4-5,7-8,16-17H,1-3,6,14H2,(H2,15,18).
What are the key properties of 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide?
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide has a molecular weight of 310.38 g/mol, XLogP of 0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 106233539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).