N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide

C5H10N4O2S2 — CID 65271450

IUPACN-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncns1
InChIInChI=1S/C5H10N4O2S2/c1-13(10,11)9-3-2-6-5-7-4-8-12-5/h4,9H,2-3H2,1H3,(H,6,7,8)
InChIKeyQGEDQOXILOIDFO-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.50
Rot. Bonds5

About N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide

N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide (PubChem CID 65271450) has the molecular formula C5H10N4O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
PubChem CID65271450
Molecular FormulaC5H10N4O2S2
Molecular Weight222.29 g/mol
Exact Mass222.02
IUPAC NameN-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncns1
InChIInChI=1S/C5H10N4O2S2/c1-13(10,11)9-3-2-6-5-7-4-8-12-5/h4,9H,2-3H2,1H3,(H,6,7,8)
InChIKeyQGEDQOXILOIDFO-UHFFFAOYSA-N
XLogP-0.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.50
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-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide (CID 65271450) is N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ncns1.
What is the InChIKey of N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide?
The InChIKey is QGEDQOXILOIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S2/c1-13(10,11)9-3-2-6-5-7-4-8-12-5/h4,9H,2-3H2,1H3,(H,6,7,8).
What are the key properties of N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide?
N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide has a molecular weight of 222.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 65271450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).