[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol

C13H22N2O4S — CID 103541118

IUPAC[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol
SMILESCOC1CCN(S(=O)(=O)c2cc(CO)n(C(C)C)c2)C1
InChIInChI=1S/C13H22N2O4S/c1-10(2)15-8-13(6-11(15)9-16)20(17,18)14-5-4-12(7-14)19-3/h6,8,10,12,16H,4-5,7,9H2,1-3H3
InChIKeyGSXWUKFLXGIAGI-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.97
Rot. Bonds5

About [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol

[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol (PubChem CID 103541118) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol
PubChem CID103541118
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol
SMILESCOC1CCN(S(=O)(=O)c2cc(CO)n(C(C)C)c2)C1
InChIInChI=1S/C13H22N2O4S/c1-10(2)15-8-13(6-11(15)9-16)20(17,18)14-5-4-12(7-14)19-3/h6,8,10,12,16H,4-5,7,9H2,1-3H3
InChIKeyGSXWUKFLXGIAGI-UHFFFAOYSA-N
XLogP0.97
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine
CID 103541482
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504126
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504140
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62941698
N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
CID 103541326
2-ethyl-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531318
[3-bromo-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanol
CID 103541087

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol?
The IUPAC name of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol (CID 103541118) is [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol.
What is the SMILES notation for [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol?
The canonical SMILES for [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol is COC1CCN(S(=O)(=O)c2cc(CO)n(C(C)C)c2)C1.
What is the InChIKey of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol?
The InChIKey is GSXWUKFLXGIAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(2)15-8-13(6-11(15)9-16)20(17,18)14-5-4-12(7-14)19-3/h6,8,10,12,16H,4-5,7,9H2,1-3H3.
What are the key properties of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol?
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol has a molecular weight of 302.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol is sourced from PubChem (CID 103541118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).