4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide

C11H15N3O2S — CID 64989100

IUPAC4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)CC2CC2)cc1
InChIInChI=1S/C11H15N3O2S/c12-11(13)9-3-5-10(6-4-9)14-17(15,16)7-8-1-2-8/h3-6,8,14H,1-2,7H2,(H3,12,13)
InChIKeyXGJHHALRPDJKRN-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.12
Rot. Bonds5

About 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide

4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide (PubChem CID 64989100) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
PubChem CID64989100
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)CC2CC2)cc1
InChIInChI=1S/C11H15N3O2S/c12-11(13)9-3-5-10(6-4-9)14-17(15,16)7-8-1-2-8/h3-6,8,14H,1-2,7H2,(H3,12,13)
InChIKeyXGJHHALRPDJKRN-UHFFFAOYSA-N
XLogP1.12
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
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-(sulfamoylamino)benzenecarboximidamide
CID 114959670
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 76904451
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
3-[4-(cyclopropylmethylsulfonylamino)phenyl]prop-2-enoic acid
CID 77052404
4-(cyclohexylamino)benzenecarboximidamide
CID 54550444
4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813447
1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
CID 114002396
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102694175
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
3-amino-4-(cyclopropylmethylsulfonylamino)benzoic acid
CID 64987527
4-[7-(4-carbamimidoylanilino)heptylamino]benzenecarboximidamide
CID 122182389

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide (CID 64989100) is 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NS(=O)(=O)CC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide?
The InChIKey is XGJHHALRPDJKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-11(13)9-3-5-10(6-4-9)14-17(15,16)7-8-1-2-8/h3-6,8,14H,1-2,7H2,(H3,12,13).
What are the key properties of 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide?
4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide has a molecular weight of 253.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 64989100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).