N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide

C13H18N2O4S — CID 45497241

IUPACN-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C13H18N2O4S/c1-9-12(20(17,18)14-10-4-5-10)8-11(19-9)13(16)15-6-2-3-7-15/h8,10,14H,2-7H2,1H3
InChIKeyTXBIEVLPIGPOPN-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.26
Rot. Bonds4

About N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide

N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide (PubChem CID 45497241) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide
PubChem CID45497241
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C13H18N2O4S/c1-9-12(20(17,18)14-10-4-5-10)8-11(19-9)13(16)15-6-2-3-7-15/h8,10,14H,2-7H2,1H3
InChIKeyTXBIEVLPIGPOPN-UHFFFAOYSA-N
XLogP1.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide?
The IUPAC name of N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide (CID 45497241) is N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide is Cc1oc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide?
The InChIKey is TXBIEVLPIGPOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-12(20(17,18)14-10-4-5-10)8-11(19-9)13(16)15-6-2-3-7-15/h8,10,14H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide?
N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide is sourced from PubChem (CID 45497241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).