(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol

C14H19N3O4S — CID 97075660

IUPAC(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
SMILESCn1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cn1
InChIInChI=1S/C14H19N3O4S/c1-16-10-12(9-15-16)22(19,20)17-6-2-4-11(17)8-13(18)14-5-3-7-21-14/h3,5,7,9-11,13,18H,2,4,6,8H2,1H3/t11-,13-/m0/s1
InChIKeyPRLUVRKAPKQVPV-AAEUAGOBSA-N
MW325.39 g/mol
LogP1.29
Rot. Bonds5

About (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol

(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol (PubChem CID 97075660) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
PubChem CID97075660
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
SMILESCn1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cn1
InChIInChI=1S/C14H19N3O4S/c1-16-10-12(9-15-16)22(19,20)17-6-2-4-11(17)8-13(18)14-5-3-7-21-14/h3,5,7,9-11,13,18H,2,4,6,8H2,1H3/t11-,13-/m0/s1
InChIKeyPRLUVRKAPKQVPV-AAEUAGOBSA-N
XLogP1.29
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124728531
(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97239642
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine
CID 70768696
2-(tert-butylsulfanylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 119105820
(2S)-2-(tert-butylsulfanylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 129357310
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 124739947

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol (CID 97075660) is (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol is Cn1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cn1.
What is the InChIKey of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol?
The InChIKey is PRLUVRKAPKQVPV-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-16-10-12(9-15-16)22(19,20)17-6-2-4-11(17)8-13(18)14-5-3-7-21-14/h3,5,7,9-11,13,18H,2,4,6,8H2,1H3/t11-,13-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol?
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol has a molecular weight of 325.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 97075660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).