1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine

C7H12N2O2S — CID 152749695

IUPAC1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESCS(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C7H12N2O2S/c1-12(10,11)7(9)5-3-2-4-6(7)8/h2-6H,8-9H2,1H3
InChIKeyNVEWMEOPPPJABR-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.86
Rot. Bonds1

About 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine

1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152749695) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152749695
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESCS(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C7H12N2O2S/c1-12(10,11)7(9)5-3-2-4-6(7)8/h2-6H,8-9H2,1H3
InChIKeyNVEWMEOPPPJABR-UHFFFAOYSA-N
XLogP-0.86
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine
CID 176707607
1,6-Diaminocyclohexa-2,4-diene-1-sulfonic acid
CID 23064855
6-(Methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine
CID 59847843
1,6-Diaminocyclohexa-2,4-diene-1-sulfonamide
CID 70634146
2-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 89076303
1-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 150922215
1-Pentan-3-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152744439
1-Pentan-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152744515
1-(2,2-Dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine
CID 152744699
1-Cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152748380
1-Cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152748396
1-Cyclopropylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152748426

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 152749695) is 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine is CS(=O)(=O)C1(N)C=CC=CC1N.
What is the InChIKey of 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is NVEWMEOPPPJABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12(10,11)7(9)5-3-2-4-6(7)8/h2-6H,8-9H2,1H3.
What are the key properties of 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 188.25 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152749695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).