[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone

C14H14ClN3O2S2 — CID 1486986

IUPAC[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nnsc1S(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H14ClN3O2S2/c15-10-4-6-11(7-5-10)22(20)14-12(16-17-21-14)13(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2
InChIKeyBGKZAWLHAVXRET-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.98
Rot. Bonds3

About [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone

[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 1486986) has the molecular formula C14H14ClN3O2S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID1486986
Molecular FormulaC14H14ClN3O2S2
Molecular Weight355.87 g/mol
Exact Mass355.02
IUPAC Name[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nnsc1S(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H14ClN3O2S2/c15-10-4-6-11(7-5-10)22(20)14-12(16-17-21-14)13(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2
InChIKeyBGKZAWLHAVXRET-UHFFFAOYSA-N
XLogP2.98
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate
CID 3421583
4-(azepane-1-carbonyl)thiadiazole-5-carboxylic acid
CID 117214909
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 55052791
[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone
CID 71791488
1-(4-chlorophenyl)sulfinylpiperidine
CID 139632028
(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
CID 117214630
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119378589
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
1-[4-(4-chlorophenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide
CID 100748186
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761815

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone (CID 1486986) is [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone is O=C(c1nnsc1S(=O)c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is BGKZAWLHAVXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S2/c15-10-4-6-11(7-5-10)22(20)14-12(16-17-21-14)13(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2.
What are the key properties of [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone?
[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 355.87 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1486986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).