3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C11H14N4O2S2 — CID 43506641

IUPAC3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C11H14N4O2S2/c1-8(12-2)9-4-3-5-10(6-9)19(16,17)15-11-14-13-7-18-11/h3-8,12H,1-2H3,(H,14,15)
InChIKeyDOALEVKJIGZCIS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.62
Rot. Bonds5

About 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 43506641) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID43506641
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C11H14N4O2S2/c1-8(12-2)9-4-3-5-10(6-9)19(16,17)15-11-14-13-7-18-11/h3-8,12H,1-2H3,(H,14,15)
InChIKeyDOALEVKJIGZCIS-UHFFFAOYSA-N
XLogP1.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 107642106
3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540299
3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 43506999
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 5049984
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
3-(3-hydroxyprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60823229
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 43506641) is 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)Nc2nncs2)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is DOALEVKJIGZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-8(12-2)9-4-3-5-10(6-9)19(16,17)15-11-14-13-7-18-11/h3-8,12H,1-2H3,(H,14,15).
What are the key properties of 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43506641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).