N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide

C11H17N3O3S2 — CID 23452463

IUPACN-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)c1nnc(C(=O)NCC2CCCCC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)11-14-13-10(18-11)9(15)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,15)
InChIKeySALKGPHRLYNYBU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.25
Rot. Bonds4

About N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide

N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 23452463) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID23452463
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)c1nnc(C(=O)NCC2CCCCC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)11-14-13-10(18-11)9(15)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,15)
InChIKeySALKGPHRLYNYBU-UHFFFAOYSA-N
XLogP1.25
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
5-chloro-N-(oxan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625385
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
5-chloro-N-(thietan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 164661256
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100566599
5-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624883
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100566536

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide (CID 23452463) is N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide is CS(=O)(=O)c1nnc(C(=O)NCC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SALKGPHRLYNYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-19(16,17)11-14-13-10(18-11)9(15)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 23452463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).