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

C10H20N4O2S2 — CID 65271302

IUPACN-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
SMILESCCc1nsc(NCCCN(CC)S(C)(=O)=O)n1
InChIInChI=1S/C10H20N4O2S2/c1-4-9-12-10(17-13-9)11-7-6-8-14(5-2)18(3,15)16/h4-8H2,1-3H3,(H,11,12,13)
InChIKeyXSZAKNBKQXRGNJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.18
Rot. Bonds8

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

N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide (PubChem CID 65271302) has the molecular formula C10H20N4O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
PubChem CID65271302
Molecular FormulaC10H20N4O2S2
Molecular Weight292.43 g/mol
Exact Mass292.10
IUPAC NameN-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
SMILESCCc1nsc(NCCCN(CC)S(C)(=O)=O)n1
InChIInChI=1S/C10H20N4O2S2/c1-4-9-12-10(17-13-9)11-7-6-8-14(5-2)18(3,15)16/h4-8H2,1-3H3,(H,11,12,13)
InChIKeyXSZAKNBKQXRGNJ-UHFFFAOYSA-N
XLogP1.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.18
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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Related Compounds

3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 127651664
2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107304781
N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107385501
N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 21827033
N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65267444
3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267993
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
CID 65268163
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
CID 65268208
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
CID 65268209
N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
CID 65268212
N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide (CID 65271302) is N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide is CCc1nsc(NCCCN(CC)S(C)(=O)=O)n1.
What is the InChIKey of N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The InChIKey is XSZAKNBKQXRGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S2/c1-4-9-12-10(17-13-9)11-7-6-8-14(5-2)18(3,15)16/h4-8H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.18, 8 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-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 65271302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).