methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate

C12H17N3O5S — CID 43423589

IUPACmethyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C12H17N3O5S/c1-14-7-8(6-10(14)11(13)16)21(18,19)15-5-3-4-9(15)12(17)20-2/h6-7,9H,3-5H2,1-2H3,(H2,13,16)
InChIKeyGTABOHUGXXCKIX-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.55
Rot. Bonds4

About methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate

methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 43423589) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID43423589
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Namemethyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C12H17N3O5S/c1-14-7-8(6-10(14)11(13)16)21(18,19)15-5-3-4-9(15)12(17)20-2/h6-7,9H,3-5H2,1-2H3,(H2,13,16)
InChIKeyGTABOHUGXXCKIX-UHFFFAOYSA-N
XLogP-0.55
TPSA111.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3,5-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409906
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CID 119984843
methyl 4-[(2R)-2-(cycloheptylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063581
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl 4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate
CID 92722770
methyl 1-methyl-4-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 53004018
ethyl 4-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53004035
methyl 4-[(2R)-2-[(4-acetamidophenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063624
methyl 1-methyl-4-[(2S)-2-(phenylcarbamoyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 95063632
methyl 4-[2-[(3,5-dimethylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052068
methyl 4-[2-(benzylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052082
methyl 4-[(2R)-2-(benzylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063629

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate (CID 43423589) is methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is GTABOHUGXXCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-14-7-8(6-10(14)11(13)16)21(18,19)15-5-3-4-9(15)12(17)20-2/h6-7,9H,3-5H2,1-2H3,(H2,13,16).
What are the key properties of methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate?
methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 315.35 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 43423589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).