2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate

C11H14N4O4S — CID 83202971

IUPAC2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H14N4O4S/c12-7-1-2-8-9(5-7)14-6-10(8)20(17,18)15-3-4-19-11(13)16/h1-2,5-6,14-15H,3-4,12H2,(H2,13,16)
InChIKeyFPQCKPRXWBFLIT-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.12
Rot. Bonds5

About 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate

2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate (PubChem CID 83202971) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
PubChem CID83202971
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H14N4O4S/c12-7-1-2-8-9(5-7)14-6-10(8)20(17,18)15-3-4-19-11(13)16/h1-2,5-6,14-15H,3-4,12H2,(H2,13,16)
InChIKeyFPQCKPRXWBFLIT-UHFFFAOYSA-N
XLogP0.12
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
CID 102694358
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
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
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate (CID 83202971) is 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate is NC(=O)OCCNS(=O)(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate?
The InChIKey is FPQCKPRXWBFLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c12-7-1-2-8-9(5-7)14-6-10(8)20(17,18)15-3-4-19-11(13)16/h1-2,5-6,14-15H,3-4,12H2,(H2,13,16).
What are the key properties of 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate?
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate has a molecular weight of 298.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83202971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).