tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate

C14H21N3O4S — CID 71634218

IUPACtert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate
SMILESCc1nccnc1S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O4S/c1-10-12(16-7-6-15-10)22(19,20)11-5-8-17(9-11)13(18)21-14(2,3)4/h6-7,11H,5,8-9H2,1-4H3/t11-/m1/s1
InChIKeyJRIQHFIAIAHEJD-LLVKDONJSA-N
MW327.41 g/mol
LogP1.57
Rot. Bonds2

About tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate (PubChem CID 71634218) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate
PubChem CID71634218
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Nametert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate
SMILESCc1nccnc1S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O4S/c1-10-12(16-7-6-15-10)22(19,20)11-5-8-17(9-11)13(18)21-14(2,3)4/h6-7,11H,5,8-9H2,1-4H3/t11-/m1/s1
InChIKeyJRIQHFIAIAHEJD-LLVKDONJSA-N
XLogP1.57
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)sulfonylmethyl]pyrrolidine-1-carboxylate
CID 97176154
tert-butyl (3R)-3-[(3-methylpyrazin-2-yl)sulfonylmethyl]piperidine-1-carboxylate
CID 97176149
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634303
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 95731970
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97171851
tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 135135282
tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate
CID 97176448
tert-butyl (3S)-3-(4-chloro-6-methylpyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97176770
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl (3S)-3-(2-chloropyrimidin-4-yl)sulfonylpiperidine-1-carboxylate
CID 97171838

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate (CID 71634218) is tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate is Cc1nccnc1S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate?
The InChIKey is JRIQHFIAIAHEJD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-12(16-7-6-15-10)22(19,20)11-5-8-17(9-11)13(18)21-14(2,3)4/h6-7,11H,5,8-9H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate is sourced from PubChem (CID 71634218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).