N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide

C15H21N5O2S2 — CID 167789540

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cn1
InChIInChI=1S/C15H21N5O2S2/c1-20(2)13-9-8-12(10-16-13)24(21,22)19-15-18-17-14(23-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyADOZZHANSUPPJA-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.85
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide (PubChem CID 167789540) has the molecular formula C15H21N5O2S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide
PubChem CID167789540
Molecular FormulaC15H21N5O2S2
Molecular Weight367.50 g/mol
Exact Mass367.11
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cn1
InChIInChI=1S/C15H21N5O2S2/c1-20(2)13-9-8-12(10-16-13)24(21,22)19-15-18-17-14(23-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyADOZZHANSUPPJA-UHFFFAOYSA-N
XLogP2.85
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide (CID 167789540) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide is CN(C)c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cn1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide?
The InChIKey is ADOZZHANSUPPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S2/c1-20(2)13-9-8-12(10-16-13)24(21,22)19-15-18-17-14(23-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide has a molecular weight of 367.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 167789540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).