tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate

C15H22N2O3S — CID 71647088

IUPACtert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCN(C(=O)c1ccsc1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)20-14(19)17-7-5-12(9-17)16(4)13(18)11-6-8-21-10-11/h6,8,10,12H,5,7,9H2,1-4H3
InChIKeyBXRUBFPSMMFRRN-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.83
Rot. Bonds2

About tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 71647088) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID71647088
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCN(C(=O)c1ccsc1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)20-14(19)17-7-5-12(9-17)16(4)13(18)11-6-8-21-10-11/h6,8,10,12H,5,7,9H2,1-4H3
InChIKeyBXRUBFPSMMFRRN-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[methyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 86813227
tert-butyl (3S)-3-[methyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 99812993
tert-butyl (3R)-3-[[3-(cyanomethyl)benzoyl]-methylamino]pyrrolidine-1-carboxylate
CID 95783970
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66758447
tert-butyl (3S)-3-[(2-formylbenzoyl)-methylamino]pyrrolidine-1-carboxylate
CID 144738571
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 66519861
N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
CID 96568851
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl (3R)-3-[methyl-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 176731385
tert-butyl (3R)-3-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-methylamino]pyrrolidine-1-carboxylate
CID 176731251
tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate
CID 173143855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate (CID 71647088) is tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate is CN(C(=O)c1ccsc1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is BXRUBFPSMMFRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)20-14(19)17-7-5-12(9-17)16(4)13(18)11-6-8-21-10-11/h6,8,10,12H,5,7,9H2,1-4H3.
What are the key properties of tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71647088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).