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

C10H18N4O2S2 — CID 171354578

IUPAC5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCCC2CCCCC2)s1
InChIInChI=1S/C10H18N4O2S2/c11-18(15,16)10-14-13-9(17-10)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)(H2,11,15,16)
InChIKeyOMWAOWKSUHCXGV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.57
Rot. Bonds5

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

5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 171354578) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID171354578
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCCC2CCCCC2)s1
InChIInChI=1S/C10H18N4O2S2/c11-18(15,16)10-14-13-9(17-10)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)(H2,11,15,16)
InChIKeyOMWAOWKSUHCXGV-UHFFFAOYSA-N
XLogP1.57
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide
CID 162653721
2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
CID 19016677
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-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide (CID 171354578) is 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NCCC2CCCCC2)s1.
What is the InChIKey of 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is OMWAOWKSUHCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c11-18(15,16)10-14-13-9(17-10)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)(H2,11,15,16).
What are the key properties of 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide?
5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 171354578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).