N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide

C14H18N4O2S2 — CID 71859525

IUPACN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cccnc1
InChIInChI=1S/C14H18N4O2S2/c19-22(20,12-7-4-8-15-10-12)18-14-17-16-13(21-14)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,17,18)
InChIKeyDFHJXGHJISZZOL-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.86
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide

N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide (PubChem CID 71859525) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
PubChem CID71859525
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cccnc1
InChIInChI=1S/C14H18N4O2S2/c19-22(20,12-7-4-8-15-10-12)18-14-17-16-13(21-14)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,17,18)
InChIKeyDFHJXGHJISZZOL-UHFFFAOYSA-N
XLogP2.86
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 144630713
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35539079
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
N-[1-(cyclobutylmethyl)piperidin-2-yl]pyridine-3-sulfonamide
CID 57065393
N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
CID 97065422
N-(2-aminocyclopentyl)pyridine-3-sulfonamide
CID 63252124
4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 63944661
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-propylpyridine-3-sulfonamide
CID 43258995
4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
CID 159194940

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide (CID 71859525) is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cccnc1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
The InChIKey is DFHJXGHJISZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c19-22(20,12-7-4-8-15-10-12)18-14-17-16-13(21-14)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,17,18).
What are the key properties of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide has a molecular weight of 338.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 71859525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).