2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide

C8H16N2O3S — CID 47337109

IUPAC2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-6-5-7(6)8(11)10-3-2-4-14(9,12)13/h6-7H,2-5H2,1H3,(H,10,11)(H2,9,12,13)
InChIKeyQRNVUQYEORFEMJ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.56
Rot. Bonds5

About 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide

2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide (PubChem CID 47337109) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide
PubChem CID47337109
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-6-5-7(6)8(11)10-3-2-4-14(9,12)13/h6-7H,2-5H2,1H3,(H,10,11)(H2,9,12,13)
InChIKeyQRNVUQYEORFEMJ-UHFFFAOYSA-N
XLogP-0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
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 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide (CID 47337109) is 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide is CC1CC1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide?
The InChIKey is QRNVUQYEORFEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6-5-7(6)8(11)10-3-2-4-14(9,12)13/h6-7H,2-5H2,1H3,(H,10,11)(H2,9,12,13).
What are the key properties of 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide?
2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47337109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).