N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide

C10H20N4O2S2 — CID 86801692

IUPACN-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H20N4O2S2/c1-5-18(15,16)12-7-6-11-9-13-8(14-17-9)10(2,3)4/h12H,5-7H2,1-4H3,(H,11,13,14)
InChIKeyCYXNULZEVQMNOY-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.19
Rot. Bonds6

About N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide

N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide (PubChem CID 86801692) has the molecular formula C10H20N4O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide
PubChem CID86801692
Molecular FormulaC10H20N4O2S2
Molecular Weight292.43 g/mol
Exact Mass292.10
IUPAC NameN-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H20N4O2S2/c1-5-18(15,16)12-7-6-11-9-13-8(14-17-9)10(2,3)4/h12H,5-7H2,1-4H3,(H,11,13,14)
InChIKeyCYXNULZEVQMNOY-UHFFFAOYSA-N
XLogP1.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide (CID 86801692) is N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNc1nc(C(C)(C)C)ns1.
What is the InChIKey of N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide?
The InChIKey is CYXNULZEVQMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S2/c1-5-18(15,16)12-7-6-11-9-13-8(14-17-9)10(2,3)4/h12H,5-7H2,1-4H3,(H,11,13,14).
What are the key properties of N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide?
N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 86801692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).