N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide

C16H25N3O2S — CID 548106

IUPACN'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide
SMILESCc1ccc(S(=O)(=O)N(/C=N/C2CCCCC2)N(C)C)cc1
InChIInChI=1S/C16H25N3O2S/c1-14-9-11-16(12-10-14)22(20,21)19(18(2)3)13-17-15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3/b17-13+
InChIKeySSKGAZZEWZQIRT-GHRIWEEISA-N
MW323.46 g/mol
LogP2.82
Rot. Bonds5

About N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide

N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide (PubChem CID 548106) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide
PubChem CID548106
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide
SMILESCc1ccc(S(=O)(=O)N(/C=N/C2CCCCC2)N(C)C)cc1
InChIInChI=1S/C16H25N3O2S/c1-14-9-11-16(12-10-14)22(20,21)19(18(2)3)13-17-15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3/b17-13+
InChIKeySSKGAZZEWZQIRT-GHRIWEEISA-N
XLogP2.82
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide
CID 164668072
4-methylbenzenesulfonate;palladium(2+);prop-1-ene;tricyclohexylphosphane
CID 22633800
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6231737
N-(2-fluoroethyl)-4-methyl-N-nitrosobenzenesulfonamide
CID 11075737
N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide
CID 15562356

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide?
The IUPAC name of N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide (CID 548106) is N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide.
What is the SMILES notation for N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide?
The canonical SMILES for N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide is Cc1ccc(S(=O)(=O)N(/C=N/C2CCCCC2)N(C)C)cc1.
What is the InChIKey of N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide?
The InChIKey is SSKGAZZEWZQIRT-GHRIWEEISA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-14-9-11-16(12-10-14)22(20,21)19(18(2)3)13-17-15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3/b17-13+.
What are the key properties of N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide?
N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide has a molecular weight of 323.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide is sourced from PubChem (CID 548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).