5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide

C9H16N4O2S2 — CID 162653721

IUPAC5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCC2CCCCC2)s1
InChIInChI=1S/C9H16N4O2S2/c10-17(14,15)9-13-12-8(16-9)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)(H2,10,14,15)
InChIKeyBMKNJFVKKYCAND-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.18
Rot. Bonds4

About 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide

5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 162653721) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID162653721
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCC2CCCCC2)s1
InChIInChI=1S/C9H16N4O2S2/c10-17(14,15)9-13-12-8(16-9)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)(H2,10,14,15)
InChIKeyBMKNJFVKKYCAND-UHFFFAOYSA-N
XLogP1.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide
CID 171354578
2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
CID 19016677
N-[5-[[(2R)-2-ethylhexyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100547170
N-[5-[[(2S)-2-ethylhexyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100547180
N-[5-[[(2R)-2-ethylhexyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100547193
N-[5-[[(2S)-2-ethylhexyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100547200
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100566496
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100566599
5-amino-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171312
5-amino-N-(2-cyclohexylethyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171365
5-amino-N-(cyclohexylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
CID 104171418

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide (CID 162653721) is 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NCC2CCCCC2)s1.
What is the InChIKey of 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is BMKNJFVKKYCAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c10-17(14,15)9-13-12-8(16-9)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)(H2,10,14,15).
What are the key properties of 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide?
5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 162653721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).