(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide

C14H21N5O3S — CID 98785030

IUPAC(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@H](C)c2nncn2C)o1
InChIInChI=1S/C14H21N5O3S/c1-10-6-7-13(22-10)12-5-4-8-19(12)23(20,21)17-11(2)14-16-15-9-18(14)3/h6-7,9,11-12,17H,4-5,8H2,1-3H3/t11-,12+/m1/s1
InChIKeyGRFYXXLQQDSMGN-NEPJUHHUSA-N
MW339.42 g/mol
LogP1.45
Rot. Bonds5

About (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide

(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 98785030) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID98785030
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@H](C)c2nncn2C)o1
InChIInChI=1S/C14H21N5O3S/c1-10-6-7-13(22-10)12-5-4-8-19(12)23(20,21)17-11(2)14-16-15-9-18(14)3/h6-7,9,11-12,17H,4-5,8H2,1-3H3/t11-,12+/m1/s1
InChIKeyGRFYXXLQQDSMGN-NEPJUHHUSA-N
XLogP1.45
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide
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(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873051
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873038
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61253512
trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide
CID 124860154
(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
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine
CID 124888744

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide (CID 98785030) is (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide is Cc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@H](C)c2nncn2C)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is GRFYXXLQQDSMGN-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-10-6-7-13(22-10)12-5-4-8-19(12)23(20,21)17-11(2)14-16-15-9-18(14)3/h6-7,9,11-12,17H,4-5,8H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 98785030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).