1-ethyl-4-methylsulfonylcycloheptane

C10H20O2S — CID 58832068

IUPAC1-ethyl-4-methylsulfonylcycloheptane
SMILESCCC1CCCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20O2S/c1-3-9-5-4-6-10(8-7-9)13(2,11)12/h9-10H,3-8H2,1-2H3
InChIKeyNHQLBRLYJCSQOT-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.39
Rot. Bonds2

About 1-ethyl-4-methylsulfonylcycloheptane

1-ethyl-4-methylsulfonylcycloheptane (PubChem CID 58832068) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfonylcycloheptane.

Molecular Properties

Compound Name1-ethyl-4-methylsulfonylcycloheptane
PubChem CID58832068
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name1-ethyl-4-methylsulfonylcycloheptane
SMILESCCC1CCCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20O2S/c1-3-9-5-4-6-10(8-7-9)13(2,11)12/h9-10H,3-8H2,1-2H3
InChIKeyNHQLBRLYJCSQOT-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylcyclohexane-1-sulfonate
CID 140502765
4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
CID 81013167
ethylcyclobutane;methanamine
CID 175532329
cyclopropane;ethylcyclobutane;propane
CID 142456817
1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
CID 71805701
ethane;ethene;ethylcyclobutane
CID 164586585
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
tris(ethylcyclopentane);gadolinium
CID 160752471
ethylcyclopentane;methane
CID 143390575
chromium;bis(ethylcyclopentane)
CID 91996240
ethane;bis(ethylcyclopentane)
CID 158911237
ethane;ethylcyclopropane
CID 91380076

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfonylcycloheptane?
The IUPAC name of 1-ethyl-4-methylsulfonylcycloheptane (CID 58832068) is 1-ethyl-4-methylsulfonylcycloheptane.
What is the SMILES notation for 1-ethyl-4-methylsulfonylcycloheptane?
The canonical SMILES for 1-ethyl-4-methylsulfonylcycloheptane is CCC1CCCC(S(C)(=O)=O)CC1.
What is the InChIKey of 1-ethyl-4-methylsulfonylcycloheptane?
The InChIKey is NHQLBRLYJCSQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-9-5-4-6-10(8-7-9)13(2,11)12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfonylcycloheptane?
1-ethyl-4-methylsulfonylcycloheptane has a molecular weight of 204.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfonylcycloheptane is sourced from PubChem (CID 58832068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).