1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine

C15H25N5O4S — CID 163274995

IUPAC1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOc1cc(N)c(/C(=C\N)N2CC(CCNS(N)(=O)=O)C2)cc1OC
InChIInChI=1S/C15H25N5O4S/c1-23-14-5-11(12(17)6-15(14)24-2)13(7-16)20-8-10(9-20)3-4-19-25(18,21)22/h5-7,10,19H,3-4,8-9,16-17H2,1-2H3,(H2,18,21,22)/b13-7+
InChIKeyJCTIRZSMINAYPT-NTUHNPAUSA-N
MW371.46 g/mol
LogP-0.34
Rot. Bonds8

About 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine

1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 163274995) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

Compound Name1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine
PubChem CID163274995
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC Name1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOc1cc(N)c(/C(=C\N)N2CC(CCNS(N)(=O)=O)C2)cc1OC
InChIInChI=1S/C15H25N5O4S/c1-23-14-5-11(12(17)6-15(14)24-2)13(7-16)20-8-10(9-20)3-4-19-25(18,21)22/h5-7,10,19H,3-4,8-9,16-17H2,1-2H3,(H2,18,21,22)/b13-7+
InChIKeyJCTIRZSMINAYPT-NTUHNPAUSA-N
XLogP-0.34
TPSA145.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine 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

1-[4,5-dimethoxy-2-(methylamino)benzoyl]-4-[2-(sulfamoylamino)ethyl]piperidine
CID 151425233
6,7-dimethoxy-1-oxo-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]-2H-isoquinoline
CID 163275437
6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline
CID 168793669
2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline
CID 143534283
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
(2-amino-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43246100
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
9-methoxy-8-(methoxymethoxy)-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
CID 155697840
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119485177
(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66392049
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine?
The IUPAC name of 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine (CID 163274995) is 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine.
What is the SMILES notation for 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine?
The canonical SMILES for 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine is COc1cc(N)c(/C(=C\N)N2CC(CCNS(N)(=O)=O)C2)cc1OC.
What is the InChIKey of 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine?
The InChIKey is JCTIRZSMINAYPT-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H25N5O4S/c1-23-14-5-11(12(17)6-15(14)24-2)13(7-16)20-8-10(9-20)3-4-19-25(18,21)22/h5-7,10,19H,3-4,8-9,16-17H2,1-2H3,(H2,18,21,22)/b13-7+.
What are the key properties of 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine?
1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 371.46 g/mol, XLogP of -0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 163274995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).