5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide

C13H19IN2O3S2 — CID 78950028

IUPAC5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2csc(I)c2)CC1
InChIInChI=1S/C13H19IN2O3S2/c1-2-7-21(18,19)16-5-3-11(4-6-16)15-13(17)10-8-12(14)20-9-10/h8-9,11H,2-7H2,1H3,(H,15,17)
InChIKeyFBEWRCADNKXAFD-UHFFFAOYSA-N
MW442.34 g/mol
LogP2.29
Rot. Bonds5

About 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide

5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide (PubChem CID 78950028) has the molecular formula C13H19IN2O3S2 and a molecular weight of 442.34 g/mol. Its IUPAC name is 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
PubChem CID78950028
Molecular FormulaC13H19IN2O3S2
Molecular Weight442.34 g/mol
Exact Mass441.99
IUPAC Name5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2csc(I)c2)CC1
InChIInChI=1S/C13H19IN2O3S2/c1-2-7-21(18,19)16-5-3-11(4-6-16)15-13(17)10-8-12(14)20-9-10/h8-9,11H,2-7H2,1H3,(H,15,17)
InChIKeyFBEWRCADNKXAFD-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-iodothiophene-3-carboxamide
CID 79693120
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
CID 78949086
4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55962294
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide (CID 78950028) is 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2csc(I)c2)CC1.
What is the InChIKey of 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
The InChIKey is FBEWRCADNKXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O3S2/c1-2-7-21(18,19)16-5-3-11(4-6-16)15-13(17)10-8-12(14)20-9-10/h8-9,11H,2-7H2,1H3,(H,15,17).
What are the key properties of 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide has a molecular weight of 442.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78950028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).