tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate

C15H25N3O2S — CID 107093189

IUPACtert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1cc(C(NN)C2CCN(C(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-10-7-12(9-21-10)13(17-16)11-5-6-18(8-11)14(19)20-15(2,3)4/h7,9,11,13,17H,5-6,8,16H2,1-4H3
InChIKeyQFIQORZYMRBXSN-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 107093189) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID107093189
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1cc(C(NN)C2CCN(C(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-10-7-12(9-21-10)13(17-16)11-5-6-18(8-11)14(19)20-15(2,3)4/h7,9,11,13,17H,5-6,8,16H2,1-4H3
InChIKeyQFIQORZYMRBXSN-UHFFFAOYSA-N
XLogP2.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[(3,4-dichlorophenyl)-hydrazinylmethyl]pyrrolidine-1-carboxylate
CID 107093075
tert-butyl 3-[methylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092466
tert-butyl 3-[ethylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092467
tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate
CID 107092259
tert-butyl 3-[ethylamino-(6-methyl-3-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 107092382
tert-butyl 3-[(5-methylthiophen-2-yl)-(propylamino)methyl]pyrrolidine-1-carboxylate
CID 107092530
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate (CID 107093189) is tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate is Cc1cc(C(NN)C2CCN(C(=O)OC(C)(C)C)C2)cs1.
What is the InChIKey of tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is QFIQORZYMRBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-7-12(9-21-10)13(17-16)11-5-6-18(8-11)14(19)20-15(2,3)4/h7,9,11,13,17H,5-6,8,16H2,1-4H3.
What are the key properties of tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[hydrazinyl-(5-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107093189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).