N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide

C10H13N3O3S — CID 143634485

IUPACN-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide
SMILESCN(NC=O)/C(=N\S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H13N3O3S/c1-13(11-8-14)10(12-17(2,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,14)/b12-10-
InChIKeyMJIGEIMLLQFFFP-BENRWUELSA-N
MW255.30 g/mol
LogP-0.01
Rot. Bonds4

About N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide

N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide (PubChem CID 143634485) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide.

Molecular Properties

Compound NameN-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide
PubChem CID143634485
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide
SMILESCN(NC=O)/C(=N\S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H13N3O3S/c1-13(11-8-14)10(12-17(2,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,14)/b12-10-
InChIKeyMJIGEIMLLQFFFP-BENRWUELSA-N
XLogP-0.01
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-methyl-N-[5-[methyl-(N-methylsulfonyl-C-phenylcarbonimidoyl)amino]-2,4-dioxopentyl]benzenecarboximidamide
CID 159949617
N-[benzenesulfonyl(methyl)amino]formamide
CID 175411358
2-methylsulfonylimino-2-phenylacetic acid
CID 54113138
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
CID 6519001
N-(benzhydrylideneamino)methanesulfonamide
CID 22613527
N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide
CID 134919978
N-phenyl-N'-sulfamoylbenzenecarboximidamide
CID 18723552
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol
CID 134871719
(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide
CID 24977574
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557

Frequently Asked Questions

What is the IUPAC name of N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide?
The IUPAC name of N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide (CID 143634485) is N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide.
What is the SMILES notation for N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide?
The canonical SMILES for N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide is CN(NC=O)/C(=N\S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide?
The InChIKey is MJIGEIMLLQFFFP-BENRWUELSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-13(11-8-14)10(12-17(2,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,14)/b12-10-.
What are the key properties of N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide?
N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide has a molecular weight of 255.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-[(Z)-N-methylsulfonyl-C-phenylcarbonimidoyl]amino]formamide is sourced from PubChem (CID 143634485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).