amino-(2-carbamoylindol-1-yl)methanesulfonic acid

C10H11N3O4S — CID 174453323

IUPACamino-(2-carbamoylindol-1-yl)methanesulfonic acid
SMILESNC(=O)c1cc2ccccc2n1C(N)S(=O)(=O)O
InChIInChI=1S/C10H11N3O4S/c11-9(14)8-5-6-3-1-2-4-7(6)13(8)10(12)18(15,16)17/h1-5,10H,12H2,(H2,11,14)(H,15,16,17)
InChIKeyKVCJZGKQAYVNBI-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.04
Rot. Bonds3

About amino-(2-carbamoylindol-1-yl)methanesulfonic acid

amino-(2-carbamoylindol-1-yl)methanesulfonic acid (PubChem CID 174453323) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is amino-(2-carbamoylindol-1-yl)methanesulfonic acid.

Molecular Properties

Compound Nameamino-(2-carbamoylindol-1-yl)methanesulfonic acid
PubChem CID174453323
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameamino-(2-carbamoylindol-1-yl)methanesulfonic acid
SMILESNC(=O)c1cc2ccccc2n1C(N)S(=O)(=O)O
InChIInChI=1S/C10H11N3O4S/c11-9(14)8-5-6-3-1-2-4-7(6)13(8)10(12)18(15,16)17/h1-5,10H,12H2,(H2,11,14)(H,15,16,17)
InChIKeyKVCJZGKQAYVNBI-UHFFFAOYSA-N
XLogP0.04
TPSA128.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(2-carbamoylindol-1-yl)methanesulfonic acid?
The IUPAC name of amino-(2-carbamoylindol-1-yl)methanesulfonic acid (CID 174453323) is amino-(2-carbamoylindol-1-yl)methanesulfonic acid.
What is the SMILES notation for amino-(2-carbamoylindol-1-yl)methanesulfonic acid?
The canonical SMILES for amino-(2-carbamoylindol-1-yl)methanesulfonic acid is NC(=O)c1cc2ccccc2n1C(N)S(=O)(=O)O.
What is the InChIKey of amino-(2-carbamoylindol-1-yl)methanesulfonic acid?
The InChIKey is KVCJZGKQAYVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c11-9(14)8-5-6-3-1-2-4-7(6)13(8)10(12)18(15,16)17/h1-5,10H,12H2,(H2,11,14)(H,15,16,17).
What are the key properties of amino-(2-carbamoylindol-1-yl)methanesulfonic acid?
amino-(2-carbamoylindol-1-yl)methanesulfonic acid has a molecular weight of 269.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-carbamoylindol-1-yl)methanesulfonic acid is sourced from PubChem (CID 174453323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).