N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine

C20H30N4O2S — CID 67933796

IUPACN-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine
SMILESCC(C)N(C)N=C1C=CC(S(=O)(=O)C2=CCC(=NN(C)C(C)C)C=C2)=CC1
InChIInChI=1S/C20H30N4O2S/c1-15(2)23(5)21-17-7-11-19(12-8-17)27(25,26)20-13-9-18(10-14-20)22-24(6)16(3)4/h7,9,11-16H,8,10H2,1-6H3
InChIKeyCTWCAQGGKMBMOY-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.48
Rot. Bonds6

About N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine

N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine (PubChem CID 67933796) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine
PubChem CID67933796
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC NameN-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine
SMILESCC(C)N(C)N=C1C=CC(S(=O)(=O)C2=CCC(=NN(C)C(C)C)C=C2)=CC1
InChIInChI=1S/C20H30N4O2S/c1-15(2)23(5)21-17-7-11-19(12-8-17)27(25,26)20-13-9-18(10-14-20)22-24(6)16(3)4/h7,9,11-16H,8,10H2,1-6H3
InChIKeyCTWCAQGGKMBMOY-UHFFFAOYSA-N
XLogP3.48
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine?
The IUPAC name of N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine (CID 67933796) is N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine?
The canonical SMILES for N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine is CC(C)N(C)N=C1C=CC(S(=O)(=O)C2=CCC(=NN(C)C(C)C)C=C2)=CC1.
What is the InChIKey of N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine?
The InChIKey is CTWCAQGGKMBMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-15(2)23(5)21-17-7-11-19(12-8-17)27(25,26)20-13-9-18(10-14-20)22-24(6)16(3)4/h7,9,11-16H,8,10H2,1-6H3.
What are the key properties of N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine?
N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine has a molecular weight of 390.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[4-[methyl(propan-2-yl)hydrazinylidene]cyclohexa-1,5-dien-1-yl]sulfonylcyclohexa-2,4-dien-1-ylidene]amino]propan-2-amine is sourced from PubChem (CID 67933796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).