5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride

C12H17ClN2O4S — CID 106589847

IUPAC5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCOCC1CCCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C1
InChIInChI=1S/C12H17ClN2O4S/c1-19-8-9-3-2-4-15(7-9)12(16)11-5-10(6-14-11)20(13,17)18/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyHOLCTHFSUUAZTR-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.44
Rot. Bonds4

About 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride

5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride (PubChem CID 106589847) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride
PubChem CID106589847
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCOCC1CCCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C1
InChIInChI=1S/C12H17ClN2O4S/c1-19-8-9-3-2-4-15(7-9)12(16)11-5-10(6-14-11)20(13,17)18/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyHOLCTHFSUUAZTR-UHFFFAOYSA-N
XLogP1.44
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 115562674
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014
5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 65367180
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 65366989
ethyl 1-(4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
CID 22552057
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
3-[3-(methoxymethyl)piperidine-1-carbonyl]-5-nitrobenzoic acid
CID 119184809

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride (CID 106589847) is 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride is COCC1CCCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C1.
What is the InChIKey of 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is HOLCTHFSUUAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-19-8-9-3-2-4-15(7-9)12(16)11-5-10(6-14-11)20(13,17)18/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride?
5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 320.80 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 106589847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).