5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide

C14H15IN2O2S2 — CID 106029625

IUPAC5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1)c1csc(CNC2CC2)c1
InChIInChI=1S/C14H15IN2O2S2/c15-10-1-3-12(4-2-10)17-21(18,19)14-7-13(20-9-14)8-16-11-5-6-11/h1-4,7,9,11,16-17H,5-6,8H2
InChIKeyNBKGEJLIWPMQJC-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.41
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide (PubChem CID 106029625) has the molecular formula C14H15IN2O2S2 and a molecular weight of 434.32 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
PubChem CID106029625
Molecular FormulaC14H15IN2O2S2
Molecular Weight434.32 g/mol
Exact Mass433.96
IUPAC Name5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1)c1csc(CNC2CC2)c1
InChIInChI=1S/C14H15IN2O2S2/c15-10-1-3-12(4-2-10)17-21(18,19)14-7-13(20-9-14)8-16-11-5-6-11/h1-4,7,9,11,16-17H,5-6,8H2
InChIKeyNBKGEJLIWPMQJC-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106060980
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072802
5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073745

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide (CID 106029625) is 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(I)cc1)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide?
The InChIKey is NBKGEJLIWPMQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2S2/c15-10-1-3-12(4-2-10)17-21(18,19)14-7-13(20-9-14)8-16-11-5-6-11/h1-4,7,9,11,16-17H,5-6,8H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide has a molecular weight of 434.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106029625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).