4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine

C7H10FNO2S — CID 176707607

IUPAC4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine
SMILESCS(=O)(=O)C1C=C(F)C=CC1N
InChIInChI=1S/C7H10FNO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,6-7H,9H2,1H3
InChIKeyDOYOALDLXZJROK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.15
Rot. Bonds1

About 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine

4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine (PubChem CID 176707607) has the molecular formula C7H10FNO2S and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine
PubChem CID176707607
Molecular FormulaC7H10FNO2S
Molecular Weight191.23 g/mol
Exact Mass191.04
IUPAC Name4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine
SMILESCS(=O)(=O)C1C=C(F)C=CC1N
InChIInChI=1S/C7H10FNO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,6-7H,9H2,1H3
InChIKeyDOYOALDLXZJROK-UHFFFAOYSA-N
XLogP0.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Difluoro-4-methylsulfonylcyclohexa-1,5-dien-1-amine
CID 66806896
3-Amino-4-fluorocyclohexa-1,5-diene-1-sulfonic acid
CID 91546568
5-Amino-2-fluorocyclohexa-1,3-diene-1-sulfonic acid
CID 91551595
6-(2-Ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine
CID 139995549
6-(Methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine
CID 59847843
(4-Methylsulfonylcyclohexa-1,5-dien-1-yl)methanamine
CID 67989460
2-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 89076303
6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine
CID 89357465
1-Propan-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152749279
1-Methylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152749695
1-Propylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750237
1-Butan-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152751025

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine (CID 176707607) is 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine is CS(=O)(=O)C1C=C(F)C=CC1N.
What is the InChIKey of 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine?
The InChIKey is DOYOALDLXZJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,6-7H,9H2,1H3.
What are the key properties of 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine?
4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine has a molecular weight of 191.23 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 176707607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).