tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate

C10H16N2O4S — CID 175545079

IUPACtert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(NS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O4S/c1-10(2,3)16-9(13)12-6-5-8(7-12)11-17(4,14)15/h5-7,11H,1-4H3
InChIKeyZIQYKKXONPOBQK-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate

tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate (PubChem CID 175545079) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate
PubChem CID175545079
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Nametert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(NS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O4S/c1-10(2,3)16-9(13)12-6-5-8(7-12)11-17(4,14)15/h5-7,11H,1-4H3
InChIKeyZIQYKKXONPOBQK-UHFFFAOYSA-N
XLogP1.64
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(hydroxymethyl)pyrrole-1-carboxylate
CID 10821751
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid
CID 18450544
tert-butyl 3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyrrole-1-carboxylate
CID 141457644
acetaldehyde;tert-butyl 3-methanidylpyrrole-1-carboxylate;yttrium
CID 58101913
tert-butyl 3-thiophen-3-ylpyrrole-1-carboxylate
CID 59745641
tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
CID 174864057
tert-butyl (4aR,9aS)-7-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
CID 58294516
tert-butyl 7-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
CID 67223390
tert-butyl 3-(2,3-dimethylbenzoyl)pyrrole-1-carboxylate
CID 177195726
tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate
CID 118907039
tert-butyl pyrido[3,4-b]indole-2-carboxylate
CID 143173317
tert-butyl (4S)-4-[[4-(methanesulfonamido)phenoxy]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 74223463

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate (CID 175545079) is tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1ccc(NS(C)(=O)=O)c1.
What is the InChIKey of tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate?
The InChIKey is ZIQYKKXONPOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-10(2,3)16-9(13)12-6-5-8(7-12)11-17(4,14)15/h5-7,11H,1-4H3.
What are the key properties of tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate?
tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate is sourced from PubChem (CID 175545079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).