N-pentylsulfonylcyclopropanecarboxamide

C9H17NO3S — CID 142782709

IUPACN-pentylsulfonylcyclopropanecarboxamide
SMILESCCCCCS(=O)(=O)NC(=O)C1CC1
InChIInChI=1S/C9H17NO3S/c1-2-3-4-7-14(12,13)10-9(11)8-5-6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyWQEFZHBDMXJRGV-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.03
Rot. Bonds6

About N-pentylsulfonylcyclopropanecarboxamide

N-pentylsulfonylcyclopropanecarboxamide (PubChem CID 142782709) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-pentylsulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-pentylsulfonylcyclopropanecarboxamide
PubChem CID142782709
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-pentylsulfonylcyclopropanecarboxamide
SMILESCCCCCS(=O)(=O)NC(=O)C1CC1
InChIInChI=1S/C9H17NO3S/c1-2-3-4-7-14(12,13)10-9(11)8-5-6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyWQEFZHBDMXJRGV-UHFFFAOYSA-N
XLogP1.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentylsulfonylcyclopropanecarboxamide?
The IUPAC name of N-pentylsulfonylcyclopropanecarboxamide (CID 142782709) is N-pentylsulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-pentylsulfonylcyclopropanecarboxamide?
The canonical SMILES for N-pentylsulfonylcyclopropanecarboxamide is CCCCCS(=O)(=O)NC(=O)C1CC1.
What is the InChIKey of N-pentylsulfonylcyclopropanecarboxamide?
The InChIKey is WQEFZHBDMXJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-3-4-7-14(12,13)10-9(11)8-5-6-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-pentylsulfonylcyclopropanecarboxamide?
N-pentylsulfonylcyclopropanecarboxamide has a molecular weight of 219.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfonylcyclopropanecarboxamide is sourced from PubChem (CID 142782709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).