[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium

C14H18N3O3S2+ — CID 7197527

IUPAC[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC/[NH+]=C(\N)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17N3O3S2/c1-20-12-6-3-2-5-11(12)8-9-16-14(15)17-22(18,19)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H3,15,16,17)/p+1
InChIKeyODEVUVJKEJILRE-UHFFFAOYSA-O
MW340.45 g/mol
LogP-0.33
Rot. Bonds6

About [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium

[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 7197527) has the molecular formula C14H18N3O3S2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID7197527
Molecular FormulaC14H18N3O3S2+
Molecular Weight340.45 g/mol
Exact Mass340.08
IUPAC Name[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC/[NH+]=C(\N)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17N3O3S2/c1-20-12-6-3-2-5-11(12)8-9-16-14(15)17-22(18,19)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H3,15,16,17)/p+1
InChIKeyODEVUVJKEJILRE-UHFFFAOYSA-O
XLogP-0.33
TPSA95.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
CID 7197549
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide
CID 129017405
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 66617057
N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 67113911
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518

Frequently Asked Questions

What is the IUPAC name of [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium (CID 7197527) is [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1CC/[NH+]=C(\N)NS(=O)(=O)c1cccs1.
What is the InChIKey of [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is ODEVUVJKEJILRE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17N3O3S2/c1-20-12-6-3-2-5-11(12)8-9-16-14(15)17-22(18,19)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H3,15,16,17)/p+1.
What are the key properties of [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 7197527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).