2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine

C14H17N3O3S — CID 138017972

IUPAC2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESCc1cc(S(=O)(=O)N2CCCC2c2ncccn2)c(C)o1
InChIInChI=1S/C14H17N3O3S/c1-10-9-13(11(2)20-10)21(18,19)17-8-3-5-12(17)14-15-6-4-7-16-14/h4,6-7,9,12H,3,5,8H2,1-2H3
InChIKeyHIDKSEOPMGOGEI-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.21
Rot. Bonds3

About 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine

2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine (PubChem CID 138017972) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine
PubChem CID138017972
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESCc1cc(S(=O)(=O)N2CCCC2c2ncccn2)c(C)o1
InChIInChI=1S/C14H17N3O3S/c1-10-9-13(11(2)20-10)21(18,19)17-8-3-5-12(17)14-15-6-4-7-16-14/h4,6-7,9,12H,3,5,8H2,1-2H3
InChIKeyHIDKSEOPMGOGEI-UHFFFAOYSA-N
XLogP2.21
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
5-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 90564377
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
3,5-dimethyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 46366323
1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871730
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
The IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine (CID 138017972) is 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine is Cc1cc(S(=O)(=O)N2CCCC2c2ncccn2)c(C)o1.
What is the InChIKey of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
The InChIKey is HIDKSEOPMGOGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-9-13(11(2)20-10)21(18,19)17-8-3-5-12(17)14-15-6-4-7-16-14/h4,6-7,9,12H,3,5,8H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine has a molecular weight of 307.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 138017972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).