1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide

C15H24N2O4S — CID 123213356

IUPAC1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide
SMILESCCCC=CC1CC1(NC(C)=O)C(=O)NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C15H24N2O4S/c1-4-5-6-7-12-10-15(12,16-11(2)18)13(19)17-22(20,21)14(3)8-9-14/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyROMZDDSHLYQAOC-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.24
Rot. Bonds7

About 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide

1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide (PubChem CID 123213356) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide
PubChem CID123213356
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide
SMILESCCCC=CC1CC1(NC(C)=O)C(=O)NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C15H24N2O4S/c1-4-5-6-7-12-10-15(12,16-11(2)18)13(19)17-22(20,21)14(3)8-9-14/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyROMZDDSHLYQAOC-UHFFFAOYSA-N
XLogP1.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide (CID 123213356) is 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide is CCCC=CC1CC1(NC(C)=O)C(=O)NS(=O)(=O)C1(C)CC1.
What is the InChIKey of 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide?
The InChIKey is ROMZDDSHLYQAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-5-6-7-12-10-15(12,16-11(2)18)13(19)17-22(20,21)14(3)8-9-14/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide?
1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 123213356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).