(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide

C13H19N5O3S — CID 96510725

IUPAC(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C13H19N5O3S/c1-2-17-10-14-16-13(17)9-15-22(19,20)18-7-3-5-11(18)12-6-4-8-21-12/h4,6,8,10-11,15H,2-3,5,7,9H2,1H3/t11-/m1/s1
InChIKeyCSFYJVQRKMGOOJ-LLVKDONJSA-N
MW325.39 g/mol
LogP1.06
Rot. Bonds6

About (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide

(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 96510725) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID96510725
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C13H19N5O3S/c1-2-17-10-14-16-13(17)9-15-22(19,20)18-7-3-5-11(18)12-6-4-8-21-12/h4,6,8,10-11,15H,2-3,5,7,9H2,1H3/t11-/m1/s1
InChIKeyCSFYJVQRKMGOOJ-LLVKDONJSA-N
XLogP1.06
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide with MolForge

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Related Compounds

N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 71872996
(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 96510754
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 97002013
(2S)-2-(furan-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]pyrrolidine-1-sulfonamide
CID 124865779
(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510995
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 131942103
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95131195

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide (CID 96510725) is (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide is CCn1cnnc1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is CSFYJVQRKMGOOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-2-17-10-14-16-13(17)9-15-22(19,20)18-7-3-5-11(18)12-6-4-8-21-12/h4,6,8,10-11,15H,2-3,5,7,9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 96510725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).