(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide

C13H18N4O3S — CID 96510754

IUPAC(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCn1cc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)cn1
InChIInChI=1S/C13H18N4O3S/c1-16-10-11(8-14-16)9-15-21(18,19)17-6-2-4-12(17)13-5-3-7-20-13/h3,5,7-8,10,12,15H,2,4,6,9H2,1H3/t12-/m0/s1
InChIKeyQIMWCSPOXYKFFG-LBPRGKRZSA-N
MW310.38 g/mol
LogP1.18
Rot. Bonds5

About (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide

(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 96510754) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID96510754
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCn1cc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)cn1
InChIInChI=1S/C13H18N4O3S/c1-16-10-11(8-14-16)9-15-21(18,19)17-6-2-4-12(17)13-5-3-7-20-13/h3,5,7-8,10,12,15H,2,4,6,9H2,1H3/t12-/m0/s1
InChIKeyQIMWCSPOXYKFFG-LBPRGKRZSA-N
XLogP1.18
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 97002013
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 96510725
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 71872996
(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510995
(2S)-2-(furan-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]pyrrolidine-1-sulfonamide
CID 124865779
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide (CID 96510754) is (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide is Cn1cc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)cn1.
What is the InChIKey of (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is QIMWCSPOXYKFFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-16-10-11(8-14-16)9-15-21(18,19)17-6-2-4-12(17)13-5-3-7-20-13/h3,5,7-8,10,12,15H,2,4,6,9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 96510754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).