(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone

C10H14N2O3S2 — CID 105117717

IUPAC(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone
SMILESCS(=O)(=O)C1CCCC(C(=O)c2csnn2)C1
InChIInChI=1S/C10H14N2O3S2/c1-17(14,15)8-4-2-3-7(5-8)10(13)9-6-16-12-11-9/h6-8H,2-5H2,1H3
InChIKeyKLDLOZBBLQBYHW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.32
Rot. Bonds3

About (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone

(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone (PubChem CID 105117717) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone
PubChem CID105117717
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone
SMILESCS(=O)(=O)C1CCCC(C(=O)c2csnn2)C1
InChIInChI=1S/C10H14N2O3S2/c1-17(14,15)8-4-2-3-7(5-8)10(13)9-6-16-12-11-9/h6-8H,2-5H2,1H3
InChIKeyKLDLOZBBLQBYHW-UHFFFAOYSA-N
XLogP1.32
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethanone
CID 102923191
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 102950080
N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105168767
(3-methylsulfonylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115785817
(4-bromo-2,6-difluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115785925
(3-methylfuran-2-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 104799669
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
1-benzothiophen-2-yl-(3-methylsulfonylcyclohexyl)methanone
CID 115786097
(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115786050
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116599710
(3-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 107957262
2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116548386

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone (CID 105117717) is (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone is CS(=O)(=O)C1CCCC(C(=O)c2csnn2)C1.
What is the InChIKey of (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone?
The InChIKey is KLDLOZBBLQBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-17(14,15)8-4-2-3-7(5-8)10(13)9-6-16-12-11-9/h6-8H,2-5H2,1H3.
What are the key properties of (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone?
(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105117717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).