(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine

C13H20N6O2S — CID 14981776

IUPAC(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine
SMILESNC(=N\S(=O)(=O)N1CCCCC1)/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H20N6O2S/c14-12(16-11-7-3-1-4-8-11)17-13(15)18-22(20,21)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H5,14,15,16,17,18)
InChIKeyVQXNVVMIDRAWGD-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.46
Rot. Bonds3

About (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine

(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine (PubChem CID 14981776) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine
PubChem CID14981776
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine
SMILESNC(=N\S(=O)(=O)N1CCCCC1)/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H20N6O2S/c14-12(16-11-7-3-1-4-8-11)17-13(15)18-22(20,21)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H5,14,15,16,17,18)
InChIKeyVQXNVVMIDRAWGD-UHFFFAOYSA-N
XLogP0.46
TPSA126.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-phenyl-2-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 110927853
4-[[amino-[[amino(anilino)methylidene]amino]methylidene]amino]benzenesulfonic acid
CID 154313965
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N'-(benzenesulfonyl)piperidine-1-carboximidamide
CID 75092022
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine?
The IUPAC name of (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine (CID 14981776) is (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine.
What is the SMILES notation for (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine?
The canonical SMILES for (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine is NC(=N\S(=O)(=O)N1CCCCC1)/N=C(\N)Nc1ccccc1.
What is the InChIKey of (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine?
The InChIKey is VQXNVVMIDRAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c14-12(16-11-7-3-1-4-8-11)17-13(15)18-22(20,21)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H5,14,15,16,17,18).
What are the key properties of (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine?
(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine has a molecular weight of 324.41 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine is sourced from PubChem (CID 14981776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).