tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate

C16H23N3O4S — CID 175474084

IUPACtert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccnc(S(=O)(=O)C2CC2)n1
InChIInChI=1S/C16H23N3O4S/c1-16(2,3)23-15(20)19-10-4-5-13(19)12-8-9-17-14(18-12)24(21,22)11-6-7-11/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyATBFTJSPZSCCDP-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 175474084) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate
PubChem CID175474084
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Nametert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccnc(S(=O)(=O)C2CC2)n1
InChIInChI=1S/C16H23N3O4S/c1-16(2,3)23-15(20)19-10-4-5-13(19)12-8-9-17-14(18-12)24(21,22)11-6-7-11/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyATBFTJSPZSCCDP-UHFFFAOYSA-N
XLogP2.48
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[(4-methylpyrimidin-2-yl)sulfonylmethyl]pyrrolidine-1-carboxylate
CID 97176679
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
tert-butyl (2S)-2-(3-chloropyrazin-2-yl)pyrrolidine-1-carboxylate
CID 124997181
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl (2S)-2-(7-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 58425768
tert-butyl (3S)-3-(2-chloropyrimidin-4-yl)sulfonylpiperidine-1-carboxylate
CID 97171838
tert-butyl (2S)-2-[6-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 53491590
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 154457614
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate (CID 175474084) is tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1ccnc(S(=O)(=O)C2CC2)n1.
What is the InChIKey of tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is ATBFTJSPZSCCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-16(2,3)23-15(20)19-10-4-5-13(19)12-8-9-17-14(18-12)24(21,22)11-6-7-11/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 353.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175474084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).