N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide

C14H16N2O2S2 — CID 2945598

IUPACN'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCCC/N=C(/NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H16N2O2S2/c1-2-10-15-14(12-7-4-3-5-8-12)16-20(17,18)13-9-6-11-19-13/h3-9,11H,2,10H2,1H3,(H,15,16)
InChIKeySIOYMPWUXJVSJG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.88
Rot. Bonds5

About N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide

N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 2945598) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID2945598
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCCC/N=C(/NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H16N2O2S2/c1-2-10-15-14(12-7-4-3-5-8-12)16-20(17,18)13-9-6-11-19-13/h3-9,11H,2,10H2,1H3,(H,15,16)
InChIKeySIOYMPWUXJVSJG-UHFFFAOYSA-N
XLogP2.88
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.88
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'}

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
3-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,2-benzothiazole 1,1-dioxide
CID 9562798
4-(Biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21057162
3-(4-Fluorobenzyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea
CID 2354069
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
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-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007
N-[(isopropylamino)(phenyl)methylene]-2-thiophenesulfonamide
CID 2946212
N-[(tert-butylamino)(phenyl)methylene]-2-thiophenesulfonamide
CID 3564949
2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 4663414

Frequently Asked Questions

What is the IUPAC name of N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 2945598) is N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide is CCC/N=C(/NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is SIOYMPWUXJVSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-2-10-15-14(12-7-4-3-5-8-12)16-20(17,18)13-9-6-11-19-13/h3-9,11H,2,10H2,1H3,(H,15,16).
What are the key properties of N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 308.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 2945598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).