1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine

C11H20N2O2S — CID 152744699

IUPAC1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC(C)(C)CS(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C11H20N2O2S/c1-10(2,3)8-16(14,15)11(13)7-5-4-6-9(11)12/h4-7,9H,8,12-13H2,1-3H3
InChIKeyYKPLYCXDNUCUNC-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.56
Rot. Bonds2

About 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine

1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 152744699) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID152744699
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC(C)(C)CS(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C11H20N2O2S/c1-10(2,3)8-16(14,15)11(13)7-5-4-6-9(11)12/h4-7,9H,8,12-13H2,1-3H3
InChIKeyYKPLYCXDNUCUNC-UHFFFAOYSA-N
XLogP0.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2Z,4E)-5-aminohexa-2,4-dienyl]sulfonylcyclohexa-2,4-dien-1-amine
CID 59901878
6,6-Bis(1-ethylsulfonylethenyl)-4-methylcyclohexa-2,4-dien-1-amine
CID 68130460
ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143343217
1-Propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine
CID 151789723
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-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
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine (CID 152744699) is 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine is CC(C)(C)CS(=O)(=O)C1(N)C=CC=CC1N.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is YKPLYCXDNUCUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10(2,3)8-16(14,15)11(13)7-5-4-6-9(11)12/h4-7,9H,8,12-13H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine?
1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 244.36 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).