1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide

C7H13NO3S — CID 165442371

IUPAC1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1(C=O)CC1
InChIInChI=1S/C7H13NO3S/c1-6(2)8-12(10,11)7(5-9)3-4-7/h5-6,8H,3-4H2,1-2H3
InChIKeySKQMRLSFFVGHSE-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.05
Rot. Bonds4

About 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide

1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide (PubChem CID 165442371) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide
PubChem CID165442371
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1(C=O)CC1
InChIInChI=1S/C7H13NO3S/c1-6(2)8-12(10,11)7(5-9)3-4-7/h5-6,8H,3-4H2,1-2H3
InChIKeySKQMRLSFFVGHSE-UHFFFAOYSA-N
XLogP0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide?
The IUPAC name of 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide (CID 165442371) is 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide.
What is the SMILES notation for 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide?
The canonical SMILES for 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide is CC(C)NS(=O)(=O)C1(C=O)CC1.
What is the InChIKey of 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide?
The InChIKey is SKQMRLSFFVGHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-6(2)8-12(10,11)7(5-9)3-4-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide?
1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide has a molecular weight of 191.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-propan-2-ylcyclopropane-1-sulfonamide is sourced from PubChem (CID 165442371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).