N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide

C15H24N4O2S — CID 111210601

IUPACN',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc(S(N)(=O)=O)c1)N1CCC(C)CC1
InChIInChI=1S/C15H24N4O2S/c1-12-6-8-19(9-7-12)15(17-2)18-11-13-4-3-5-14(10-13)22(16,20)21/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,18)(H2,16,20,21)
InChIKeyKGMCFHCGSOJJNB-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.14
Rot. Bonds3

About N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111210601) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID111210601
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc(S(N)(=O)=O)c1)N1CCC(C)CC1
InChIInChI=1S/C15H24N4O2S/c1-12-6-8-19(9-7-12)15(17-2)18-11-13-4-3-5-14(10-13)22(16,20)21/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,18)(H2,16,20,21)
InChIKeyKGMCFHCGSOJJNB-UHFFFAOYSA-N
XLogP1.14
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
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'-methyl-N-[(3-sulfamoylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946624
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 109446893
N'-methyl-N-[(3-sulfamoylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946623
tert-butyl N-[1-[N'-methyl-N-[(3-sulfamoylphenyl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730084
4-(2-methoxyphenyl)-N'-methyl-N-[(3-sulfamoylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133200
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093
2-methyl-1-(2-methylcyclopropyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111961555
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210627
2-(dimethylamino)-N-[3-[[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111210574
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211952
4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111959721
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide (CID 111210601) is N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide is C/N=C(/NCc1cccc(S(N)(=O)=O)c1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is KGMCFHCGSOJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-6-8-19(9-7-12)15(17-2)18-11-13-4-3-5-14(10-13)22(16,20)21/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,18)(H2,16,20,21).
What are the key properties of N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 324.45 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111210601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).