4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide

C9H16N2O2S — CID 154255539

IUPAC4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCCC1(N)C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C9H16N2O2S/c1-2-5-9(10)6-3-8(4-7-9)14(11,12)13/h3-4,6H,2,5,7,10H2,1H3,(H2,11,12,13)
InChIKeyLNAGCNJCRUWXPW-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.62
Rot. Bonds3

About 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide

4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 154255539) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID154255539
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCCC1(N)C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C9H16N2O2S/c1-2-5-9(10)6-3-8(4-7-9)14(11,12)13/h3-4,6H,2,5,7,10H2,1H3,(H2,11,12,13)
InChIKeyLNAGCNJCRUWXPW-UHFFFAOYSA-N
XLogP0.62
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Aminopropan-2-yl)-6-fluoro-3-methylcyclohexa-1,5-diene-1-sulfonamide
CID 153589896
2-methyl-N-[(E)-2-methylnon-5-en-2-yl]propane-2-sulfonamide
CID 132093071
(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139523023
6-Amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide
CID 142784463
N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide
CID 143467609
4-(2-Amino-2-methylpropyl)benzene-5-ide-1-sulfonamide;iron
CID 149555622
4-Amino-1-hexylcyclohexa-2,4-diene-1-sulfonamide
CID 150257048
5-Amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide
CID 150506891
5-Amino-1-butylcyclohexa-2,4-diene-1-sulfonamide
CID 151078401
4-Propyl-4-(propylamino)cyclohexa-1,5-diene-1-sulfonamide
CID 152780338
4-Amino-4-hexadecylcyclohexa-1,5-diene-1-sulfonyl chloride
CID 154210475
(3E,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 170010624

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide (CID 154255539) is 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide is CCCC1(N)C=CC(S(N)(=O)=O)=CC1.
What is the InChIKey of 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is LNAGCNJCRUWXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-5-9(10)6-3-8(4-7-9)14(11,12)13/h3-4,6H,2,5,7,10H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide?
4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 216.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-propylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 154255539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).