N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide

C15H18N2O2S2 — CID 3564949

IUPACN'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCC(C)(C)/N=C(/NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-15(2,3)16-14(12-8-5-4-6-9-12)17-21(18,19)13-10-7-11-20-13/h4-11H,1-3H3,(H,16,17)
InChIKeyAFEPWZZPHIUPGH-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.27
Rot. Bonds3

About N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide

N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 3564949) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID3564949
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCC(C)(C)/N=C(/NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-15(2,3)16-14(12-8-5-4-6-9-12)17-21(18,19)13-10-7-11-20-13/h4-11H,1-3H3,(H,16,17)
InChIKeyAFEPWZZPHIUPGH-UHFFFAOYSA-N
XLogP3.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21057162
3-(4-Fluorobenzyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea
CID 2354069
methyl N'-(1-phenylethyl)-N-thiophen-2-ylsulfonylcarbamimidothioate
CID 4525745
2-(2-Phenylethyl)-1-thiophen-2-ylsulfonylguanidine
CID 7197390
N-[imino(2-thienyl)methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 9583460
N-[(isopropylamino)(phenyl)methylene]-2-thiophenesulfonamide
CID 2946212
2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 24818069
N'-[3,5-bis(trifluoromethyl)phenyl]sulfonylthiophene-2-carboximidamide
CID 2804627
5-Methylsulfanyl-4-phenylmethanesulfonyl-thiophene-2-carboxamidine
CID 44410335
N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 5738621
N~2~-[(Z)-1-amino-1-phenylmethylidene]-5-chloro-2-thiophenesulfonamide
CID 9579597
N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide
CID 661654

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 3564949) is N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide is CC(C)(C)/N=C(/NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is AFEPWZZPHIUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-15(2,3)16-14(12-8-5-4-6-9-12)17-21(18,19)13-10-7-11-20-13/h4-11H,1-3H3,(H,16,17).
What are the key properties of N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 322.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 3564949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).