1-methylsulfonylnonane

C10H22O2S — CID 19089493

IUPAC1-methylsulfonylnonane
SMILESCCCCCCCCCS(C)(=O)=O
InChIInChI=1S/C10H22O2S/c1-3-4-5-6-7-8-9-10-13(2,11)12/h3-10H2,1-2H3
InChIKeyCVBDCLDDOCBAMA-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.78
Rot. Bonds8

About 1-methylsulfonylnonane

1-methylsulfonylnonane (PubChem CID 19089493) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-methylsulfonylnonane.

Molecular Properties

Compound Name1-methylsulfonylnonane
PubChem CID19089493
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-methylsulfonylnonane
SMILESCCCCCCCCCS(C)(=O)=O
InChIInChI=1S/C10H22O2S/c1-3-4-5-6-7-8-9-10-13(2,11)12/h3-10H2,1-2H3
InChIKeyCVBDCLDDOCBAMA-UHFFFAOYSA-N
XLogP2.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(3-methylsulfonylpropyl)tridecane
CID 134251360
heptane;methylsulfonylmethane
CID 176706405
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
trihexyl(methyl)-λ4-sulfane
CID 138739733
N,N-dibutyl-4-methylsulfonylbutan-1-amine
CID 58058792
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
heptyl(trimethyl)-λ4-sulfane
CID 155014090
pentacosane-1-sulfonamide
CID 149252389
9-methylsulfonylnonan-1-amine
CID 101417644

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylnonane?
The IUPAC name of 1-methylsulfonylnonane (CID 19089493) is 1-methylsulfonylnonane.
What is the SMILES notation for 1-methylsulfonylnonane?
The canonical SMILES for 1-methylsulfonylnonane is CCCCCCCCCS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonylnonane?
The InChIKey is CVBDCLDDOCBAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-3-4-5-6-7-8-9-10-13(2,11)12/h3-10H2,1-2H3.
What are the key properties of 1-methylsulfonylnonane?
1-methylsulfonylnonane has a molecular weight of 206.35 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylnonane is sourced from PubChem (CID 19089493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).