N-(3-methylsulfonylpropyl)thiophene-2-carboxamide

C9H13NO3S2 — CID 60858560

IUPACN-(3-methylsulfonylpropyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c1-15(12,13)7-3-5-10-9(11)8-4-2-6-14-8/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeyMHQSMSBOJSUHAX-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.91
Rot. Bonds5

About N-(3-methylsulfonylpropyl)thiophene-2-carboxamide

N-(3-methylsulfonylpropyl)thiophene-2-carboxamide (PubChem CID 60858560) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)thiophene-2-carboxamide
PubChem CID60858560
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-(3-methylsulfonylpropyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c1-15(12,13)7-3-5-10-9(11)8-4-2-6-14-8/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeyMHQSMSBOJSUHAX-UHFFFAOYSA-N
XLogP0.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methylsulfonylpropyl)thiophene-2-carboxamide (CID 60858560) is N-(3-methylsulfonylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)thiophene-2-carboxamide is CS(=O)(=O)CCCNC(=O)c1cccs1.
What is the InChIKey of N-(3-methylsulfonylpropyl)thiophene-2-carboxamide?
The InChIKey is MHQSMSBOJSUHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-15(12,13)7-3-5-10-9(11)8-4-2-6-14-8/h2,4,6H,3,5,7H2,1H3,(H,10,11).
What are the key properties of N-(3-methylsulfonylpropyl)thiophene-2-carboxamide?
N-(3-methylsulfonylpropyl)thiophene-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 60858560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).