2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid

C6H10N4O4S2 — CID 69034118

IUPAC2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid
SMILESO=C(O)CNCCN(c1nncs1)S(=O)O
InChIInChI=1S/C6H10N4O4S2/c11-5(12)3-7-1-2-10(16(13)14)6-9-8-4-15-6/h4,7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyGMACUSNVTONEGC-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.84
Rot. Bonds7

About 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid

2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid (PubChem CID 69034118) has the molecular formula C6H10N4O4S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid
PubChem CID69034118
Molecular FormulaC6H10N4O4S2
Molecular Weight266.30 g/mol
Exact Mass266.01
IUPAC Name2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid
SMILESO=C(O)CNCCN(c1nncs1)S(=O)O
InChIInChI=1S/C6H10N4O4S2/c11-5(12)3-7-1-2-10(16(13)14)6-9-8-4-15-6/h4,7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyGMACUSNVTONEGC-UHFFFAOYSA-N
XLogP-0.84
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid (CID 69034118) is 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid is O=C(O)CNCCN(c1nncs1)S(=O)O.
What is the InChIKey of 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid?
The InChIKey is GMACUSNVTONEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S2/c11-5(12)3-7-1-2-10(16(13)14)6-9-8-4-15-6/h4,7H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid?
2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[sulfino(1,3,4-thiadiazol-2-yl)amino]ethylamino]acetic acid is sourced from PubChem (CID 69034118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).