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

C9H18N4O2S2 — CID 65268212

IUPACN-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1nc(C)ns1)S(C)(=O)=O
InChIInChI=1S/C9H18N4O2S2/c1-4-13(17(3,14)15)7-5-6-10-9-11-8(2)12-16-9/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyCLJOHRTZCQDMLN-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.93
Rot. Bonds7

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

N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide (PubChem CID 65268212) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
PubChem CID65268212
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC NameN-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1nc(C)ns1)S(C)(=O)=O
InChIInChI=1S/C9H18N4O2S2/c1-4-13(17(3,14)15)7-5-6-10-9-11-8(2)12-16-9/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyCLJOHRTZCQDMLN-UHFFFAOYSA-N
XLogP0.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.93
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-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide (CID 65268212) is N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide is CCN(CCCNc1nc(C)ns1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The InChIKey is CLJOHRTZCQDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-4-13(17(3,14)15)7-5-6-10-9-11-8(2)12-16-9/h4-7H2,1-3H3,(H,10,11,12).
What are the key properties of N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.93, 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-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 65268212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).