4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine

C12H18N4OS — CID 141074656

IUPAC4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(S(=O)C2(N)C=CC(N)=CC2)C=C1
InChIInChI=1S/C12H18N4OS/c13-9-1-5-11(15,6-2-9)18(17)12(16)7-3-10(14)4-8-12/h1-5,7H,6,8,13-16H2
InChIKeyBTEFCSMRCFEFJP-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.35
Rot. Bonds2

About 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine

4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 141074656) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine
PubChem CID141074656
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(S(=O)C2(N)C=CC(N)=CC2)C=C1
InChIInChI=1S/C12H18N4OS/c13-9-1-5-11(15,6-2-9)18(17)12(16)7-3-10(14)4-8-12/h1-5,7H,6,8,13-16H2
InChIKeyBTEFCSMRCFEFJP-UHFFFAOYSA-N
XLogP-0.35
TPSA121.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine with MolForge

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Related Compounds

3-(1,3-Diaminocyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,5-diene-1,3-diamine
CID 19783556
1-(1-Aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine
CID 19809752
4-(1,4-Diaminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,5-diene-1,4-diamine
CID 68652220
1-(1,5-Diaminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,3-diamine
CID 70494279
4-(4,4-Diaminocyclohexa-1,5-dien-1-yl)sulfinylcyclohexa-2,4-diene-1,1-diamine
CID 141352322
4-(1,4-Diaminocyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,5-diene-1,4-diamine
CID 152732929

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine (CID 141074656) is 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine is NC1=CCC(N)(S(=O)C2(N)C=CC(N)=CC2)C=C1.
What is the InChIKey of 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is BTEFCSMRCFEFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c13-9-1-5-11(15,6-2-9)18(17)12(16)7-3-10(14)4-8-12/h1-5,7H,6,8,13-16H2.
What are the key properties of 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine?
4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 266.37 g/mol, XLogP of -0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 141074656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).