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

C12H20N2O2S — CID 152748380

IUPAC1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O2S/c13-11-8-4-5-9-12(11,14)17(15,16)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7,13-14H2
InChIKeyWJKOSLTXJKZNMC-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.84
Rot. Bonds2

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

1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152748380) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152748380
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O2S/c13-11-8-4-5-9-12(11,14)17(15,16)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7,13-14H2
InChIKeyWJKOSLTXJKZNMC-UHFFFAOYSA-N
XLogP0.84
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
1-Butan-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152751025

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 152748380) is 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is WJKOSLTXJKZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c13-11-8-4-5-9-12(11,14)17(15,16)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7,13-14H2.
What are the key properties of 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 256.37 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152748380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).