5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine

C11H15N5O2S2 — CID 56886319

IUPAC5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H15N5O2S2/c1-8(10-14-15-11(12)19-10)16-20(17,18)13-7-9-5-3-2-4-6-9/h2-6,8,13,16H,7H2,1H3,(H2,12,15)
InChIKeyJNBCEZXAAWYXBA-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.81
Rot. Bonds6

About 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine

5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 56886319) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID56886319
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H15N5O2S2/c1-8(10-14-15-11(12)19-10)16-20(17,18)13-7-9-5-3-2-4-6-9/h2-6,8,13,16H,7H2,1H3,(H2,12,15)
InChIKeyJNBCEZXAAWYXBA-UHFFFAOYSA-N
XLogP0.81
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-(benzylsulfamoyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 95729943
5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
CID 744071
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
CID 124752195
CID 70601747
CID 70601747
(2S)-2-(benzylsulfamoylamino)propanoic acid;2,2,2-trifluoroacetic acid
CID 70061830
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 56877158
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
benzylsulfamic acid;ethane
CID 154691965
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine (CID 56886319) is 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine is CC(NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1.
What is the InChIKey of 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JNBCEZXAAWYXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-8(10-14-15-11(12)19-10)16-20(17,18)13-7-9-5-3-2-4-6-9/h2-6,8,13,16H,7H2,1H3,(H2,12,15).
What are the key properties of 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine?
5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 313.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56886319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).