1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide

C13H22N2O4S — CID 82745144

IUPAC1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)C2CCOC2C)cc1CO
InChIInChI=1S/C13H22N2O4S/c1-4-15-8-12(7-11(15)9-16)20(17,18)14(3)13-5-6-19-10(13)2/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyJUMPAYSXSYCHQF-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.80
Rot. Bonds5

About 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide

1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide (PubChem CID 82745144) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
PubChem CID82745144
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)C2CCOC2C)cc1CO
InChIInChI=1S/C13H22N2O4S/c1-4-15-8-12(7-11(15)9-16)20(17,18)14(3)13-5-6-19-10(13)2/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyJUMPAYSXSYCHQF-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82878733
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 82745499
4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide
CID 82743253
[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504140
5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745833
5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
CID 106002604
3-(chloromethyl)-4-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748459
3-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82739106
5-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745504

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide (CID 82745144) is 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)N(C)C2CCOC2C)cc1CO.
What is the InChIKey of 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
The InChIKey is JUMPAYSXSYCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-15-8-12(7-11(15)9-16)20(17,18)14(3)13-5-6-19-10(13)2/h7-8,10,13,16H,4-6,9H2,1-3H3.
What are the key properties of 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 82745144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).