N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

C13H20N4O4S2 — CID 22517558

IUPACN-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)C1CCCCC1
InChIInChI=1S/C13H20N4O4S2/c18-11(10-4-2-1-3-5-10)14-12-15-16-13(22-12)23(19,20)17-6-8-21-9-7-17/h10H,1-9H2,(H,14,15,18)
InChIKeyAIZJGHYVRKVLME-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.08
Rot. Bonds4

About N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 22517558) has the molecular formula C13H20N4O4S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID22517558
Molecular FormulaC13H20N4O4S2
Molecular Weight360.46 g/mol
Exact Mass360.09
IUPAC NameN-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)C1CCCCC1
InChIInChI=1S/C13H20N4O4S2/c18-11(10-4-2-1-3-5-10)14-12-15-16-13(22-12)23(19,20)17-6-8-21-9-7-17/h10H,1-9H2,(H,14,15,18)
InChIKeyAIZJGHYVRKVLME-UHFFFAOYSA-N
XLogP1.08
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 22517558) is N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)C1CCCCC1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is AIZJGHYVRKVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S2/c18-11(10-4-2-1-3-5-10)14-12-15-16-13(22-12)23(19,20)17-6-8-21-9-7-17/h10H,1-9H2,(H,14,15,18).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 22517558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).