1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine

C13H22N2O2S — CID 154503393

IUPAC1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESCS(=O)(=O)C1=CC(N)C(N)(C2CCCCC2)C=C1
InChIInChI=1S/C13H22N2O2S/c1-18(16,17)11-7-8-13(15,12(14)9-11)10-5-3-2-4-6-10/h7-10,12H,2-6,14-15H2,1H3
InChIKeyKIQPXKLKYZCHNO-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.09
Rot. Bonds2

About 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine

1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 154503393) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID154503393
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESCS(=O)(=O)C1=CC(N)C(N)(C2CCCCC2)C=C1
InChIInChI=1S/C13H22N2O2S/c1-18(16,17)11-7-8-13(15,12(14)9-11)10-5-3-2-4-6-10/h7-10,12H,2-6,14-15H2,1H3
InChIKeyKIQPXKLKYZCHNO-UHFFFAOYSA-N
XLogP1.09
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 154503393) is 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine is CS(=O)(=O)C1=CC(N)C(N)(C2CCCCC2)C=C1.
What is the InChIKey of 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is KIQPXKLKYZCHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-18(16,17)11-7-8-13(15,12(14)9-11)10-5-3-2-4-6-10/h7-10,12H,2-6,14-15H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 154503393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).