N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide

C8H16N4O2S2 — CID 65271240

IUPACN-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNc1ncns1)S(C)(=O)=O
InChIInChI=1S/C8H16N4O2S2/c1-3-12(16(2,13)14)6-4-5-9-8-10-7-11-15-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyCYBISAISAZMZMU-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.62
Rot. Bonds7

About N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide (PubChem CID 65271240) has the molecular formula C8H16N4O2S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide
PubChem CID65271240
Molecular FormulaC8H16N4O2S2
Molecular Weight264.38 g/mol
Exact Mass264.07
IUPAC NameN-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNc1ncns1)S(C)(=O)=O
InChIInChI=1S/C8H16N4O2S2/c1-3-12(16(2,13)14)6-4-5-9-8-10-7-11-15-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyCYBISAISAZMZMU-UHFFFAOYSA-N
XLogP0.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
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-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide (CID 65271240) is N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide is CCN(CCCNc1ncns1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide?
The InChIKey is CYBISAISAZMZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S2/c1-3-12(16(2,13)14)6-4-5-9-8-10-7-11-15-8/h7H,3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide has a molecular weight of 264.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 65271240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).