2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide

C12H17N3O3S — CID 107801066

IUPAC2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide
SMILESCc1cccc(NS(=O)(=O)CC2CC2)c1/C(N)=N/O
InChIInChI=1S/C12H17N3O3S/c1-8-3-2-4-10(11(8)12(13)14-16)15-19(17,18)7-9-5-6-9/h2-4,9,15-16H,5-7H2,1H3,(H2,13,14)
InChIKeyFSMRQKLEGSXIIH-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.24
Rot. Bonds5

About 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide

2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide (PubChem CID 107801066) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide
PubChem CID107801066
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide
SMILESCc1cccc(NS(=O)(=O)CC2CC2)c1/C(N)=N/O
InChIInChI=1S/C12H17N3O3S/c1-8-3-2-4-10(11(8)12(13)14-16)15-19(17,18)7-9-5-6-9/h2-4,9,15-16H,5-7H2,1H3,(H2,13,14)
InChIKeyFSMRQKLEGSXIIH-UHFFFAOYSA-N
XLogP1.24
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.24
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide
CID 107801069
2-(cyclopropylmethylsulfonylamino)-6-fluorobenzenecarbothioamide
CID 64988037
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
CID 54974058
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide
CID 107801051
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
CID 64988981
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107800886
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide
CID 107800881
2-(2,2-dimethylpropylsulfonylamino)-6-methylbenzenecarbothioamide
CID 107799135
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
CID 64987508
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide?
The IUPAC name of 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide (CID 107801066) is 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide?
The canonical SMILES for 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide is Cc1cccc(NS(=O)(=O)CC2CC2)c1/C(N)=N/O.
What is the InChIKey of 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide?
The InChIKey is FSMRQKLEGSXIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-3-2-4-10(11(8)12(13)14-16)15-19(17,18)7-9-5-6-9/h2-4,9,15-16H,5-7H2,1H3,(H2,13,14).
What are the key properties of 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide?
2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide has a molecular weight of 283.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide is sourced from PubChem (CID 107801066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).