5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride

C14H21ClN2O3S — CID 65366936

IUPAC5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
SMILESCCC1(C)CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-4-14(2)5-7-17(8-6-14)13(18)12-9-11(10-16(12)3)21(15,19)20/h9-10H,4-8H2,1-3H3
InChIKeyRLBCGMKFPHRJAJ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.60
Rot. Bonds3

About 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride

5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 65366936) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
PubChem CID65366936
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
SMILESCCC1(C)CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-4-14(2)5-7-17(8-6-14)13(18)12-9-11(10-16(12)3)21(15,19)20/h9-10H,4-8H2,1-3H3
InChIKeyRLBCGMKFPHRJAJ-UHFFFAOYSA-N
XLogP2.60
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepane-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367224
1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114611464
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146260
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 65366871
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161481
1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 33400694
5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65398575
(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 107952405
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride (CID 65366936) is 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride is CCC1(C)CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1.
What is the InChIKey of 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is RLBCGMKFPHRJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-14(2)5-7-17(8-6-14)13(18)12-9-11(10-16(12)3)21(15,19)20/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride?
5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).