1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride

C12H17ClN2O3S — CID 65366871

IUPAC1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
SMILESCC1CCCCN1C(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C12H17ClN2O3S/c1-9-5-3-4-6-15(9)12(16)11-7-10(8-14(11)2)19(13,17)18/h7-9H,3-6H2,1-2H3
InChIKeyWNHRDOAMYOUJAF-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.97
Rot. Bonds2

About 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride

1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride (PubChem CID 65366871) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
PubChem CID65366871
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
SMILESCC1CCCCN1C(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C12H17ClN2O3S/c1-9-5-3-4-6-15(9)12(16)11-7-10(8-14(11)2)19(13,17)18/h7-9H,3-6H2,1-2H3
InChIKeyWNHRDOAMYOUJAF-UHFFFAOYSA-N
XLogP1.97
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.97
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
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 65366989
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
cyclohexyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65397331
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
cyclopentylmethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 66322738
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 65367382
3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride (CID 65366871) is 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride is CC1CCCCN1C(=O)c1cc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The InChIKey is WNHRDOAMYOUJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9-5-3-4-6-15(9)12(16)11-7-10(8-14(11)2)19(13,17)18/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride has a molecular weight of 304.80 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65366871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).