4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide

C11H16N4O2S — CID 114813447

IUPAC4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNS(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C11H16N4O2S/c12-11(13)9-3-1-8(2-4-9)7-14-18(16,17)15-10-5-6-10/h1-4,10,14-15H,5-7H2,(H3,12,13)
InChIKeyLYAGEMQDXOAKJK-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.06
Rot. Bonds6

About 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide

4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide (PubChem CID 114813447) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
PubChem CID114813447
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNS(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C11H16N4O2S/c12-11(13)9-3-1-8(2-4-9)7-14-18(16,17)15-10-5-6-10/h1-4,10,14-15H,5-7H2,(H3,12,13)
InChIKeyLYAGEMQDXOAKJK-UHFFFAOYSA-N
XLogP0.06
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
CID 114813590
4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
CID 114811799
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
trans-(1R,2R)-2-N-benzyl-1-N-[(4-carbamimidoylphenyl)methyl]cyclopentane-1,2-dicarboxamide
CID 10667379
4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
CID 64989100
(2R)-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124583849
4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
CID 104710764
N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 18424074
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
7-[(2-hydroxyethylsulfonylamino)methyl]naphthalene-2-carboximidamide
CID 140980494
N-[(4-carbamimidoylphenyl)methyl]piperidine-1-carboxamide
CID 79155826
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide (CID 114813447) is 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CNS(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide?
The InChIKey is LYAGEMQDXOAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-11(13)9-3-1-8(2-4-9)7-14-18(16,17)15-10-5-6-10/h1-4,10,14-15H,5-7H2,(H3,12,13).
What are the key properties of 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide?
4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide has a molecular weight of 268.34 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 114813447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).