N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide

C15H18N2O2S2 — CID 87894923

IUPACN,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc(CCc2ccccc2)s1
InChIInChI=1S/C15H18N2O2S2/c1-17(2)12-16-21(18,19)15-11-10-14(20-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3/b16-12+
InChIKeyNMCUFFPANRHPOH-FOWTUZBSSA-N
MW322.46 g/mol
LogP2.81
Rot. Bonds6

About N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide

N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide (PubChem CID 87894923) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide
PubChem CID87894923
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc(CCc2ccccc2)s1
InChIInChI=1S/C15H18N2O2S2/c1-17(2)12-16-21(18,19)15-11-10-14(20-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3/b16-12+
InChIKeyNMCUFFPANRHPOH-FOWTUZBSSA-N
XLogP2.81
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
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

N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide;N-(dimethoxymethyl)-N-ethylethanamine
CID 161480159
N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
CID 69059184
N,N-dimethyl-N'-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]methanimidamide
CID 67946084
N'-[5-[4,5-bis(3-chloropropoxy)-2-methylphenyl]thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
CID 68659270
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
1-benzyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1,2-dimethylguanidine;hydroiodide
CID 110951743
N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 60561216
[(2R)-3-carboxy-2-[[5-(2-phenylethyl)thiophen-2-yl]sulfonylamino]propyl]-trimethylazanium;2,2,2-trifluoroacetic acid
CID 25065507
1-benzyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 110954511
benzene;2-phenylethylbenzene
CID 18982764
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
2-(benzylamino)-N'-(5-chlorothiophen-2-yl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide
CID 177484844

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide (CID 87894923) is N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide is CN(C)/C=N/S(=O)(=O)c1ccc(CCc2ccccc2)s1.
What is the InChIKey of N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide?
The InChIKey is NMCUFFPANRHPOH-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-17(2)12-16-21(18,19)15-11-10-14(20-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3/b16-12+.
What are the key properties of N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide?
N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide has a molecular weight of 322.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide is sourced from PubChem (CID 87894923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).