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

C11H18N2O2S — CID 152748396

IUPAC1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H18N2O2S/c12-10-7-3-4-8-11(10,13)16(14,15)9-5-1-2-6-9/h3-4,7-10H,1-2,5-6,12-13H2
InChIKeyHLVUKPJDXYMWMS-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.45
Rot. Bonds2

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

1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152748396) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152748396
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H18N2O2S/c12-10-7-3-4-8-11(10,13)16(14,15)9-5-1-2-6-9/h3-4,7-10H,1-2,5-6,12-13H2
InChIKeyHLVUKPJDXYMWMS-UHFFFAOYSA-N
XLogP0.45
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.45
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-Cyclohexylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152748380
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-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 152748396) is 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)S(=O)(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is HLVUKPJDXYMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-10-7-3-4-8-11(10,13)16(14,15)9-5-1-2-6-9/h3-4,7-10H,1-2,5-6,12-13H2.
What are the key properties of 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 242.34 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152748396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).