(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide

C14H21N5O3S — CID 97006667

IUPAC(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)N[C@@H](C)Cn2cncn2)o1
InChIInChI=1S/C14H21N5O3S/c1-11(8-18-10-15-9-16-18)17-23(20,21)19-7-3-4-13(19)14-6-5-12(2)22-14/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3/t11-,13+/m0/s1
InChIKeyNXRMDNGRMPDJKL-WCQYABFASA-N
MW339.42 g/mol
LogP1.24
Rot. Bonds6

About (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide

(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide (PubChem CID 97006667) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide
PubChem CID97006667
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)N[C@@H](C)Cn2cncn2)o1
InChIInChI=1S/C14H21N5O3S/c1-11(8-18-10-15-9-16-18)17-23(20,21)19-7-3-4-13(19)14-6-5-12(2)22-14/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3/t11-,13+/m0/s1
InChIKeyNXRMDNGRMPDJKL-WCQYABFASA-N
XLogP1.24
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873051
(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 98785030
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873038
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide
CID 124860154
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
2-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 132968644
2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
CID 95617417
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide (CID 97006667) is (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide is Cc1ccc([C@H]2CCCN2S(=O)(=O)N[C@@H](C)Cn2cncn2)o1.
What is the InChIKey of (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide?
The InChIKey is NXRMDNGRMPDJKL-WCQYABFASA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-11(8-18-10-15-9-16-18)17-23(20,21)19-7-3-4-13(19)14-6-5-12(2)22-14/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide?
(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 97006667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).