tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate

C14H29N3O4S — CID 107093119

IUPACtert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CCCS(C)(=O)=O)NN)C1
InChIInChI=1S/C14H29N3O4S/c1-14(2,3)21-13(18)17-8-7-11(10-17)12(16-15)6-5-9-22(4,19)20/h11-12,16H,5-10,15H2,1-4H3
InChIKeyJMHKGZSKYQWXDP-UHFFFAOYSA-N
MW335.47 g/mol
LogP0.90
Rot. Bonds6

About tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate (PubChem CID 107093119) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate
PubChem CID107093119
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Nametert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CCCS(C)(=O)=O)NN)C1
InChIInChI=1S/C14H29N3O4S/c1-14(2,3)21-13(18)17-8-7-11(10-17)12(16-15)6-5-9-22(4,19)20/h11-12,16H,5-10,15H2,1-4H3
InChIKeyJMHKGZSKYQWXDP-UHFFFAOYSA-N
XLogP0.90
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-hydrazinyl-4-methoxybutyl)pyrrolidine-1-carboxylate
CID 107093261
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl 3-[2-cyclopentyl-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092330
tert-butyl 3-[4,4-dimethyl-1-(methylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092341
tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
CID 107092236
tert-butyl 3-[5-methyl-1-(propylamino)hexyl]pyrrolidine-1-carboxylate
CID 107092654
tert-butyl 3-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107093202
tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
CID 107093198
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
CID 107092651

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate (CID 107093119) is tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(CCCS(C)(=O)=O)NN)C1.
What is the InChIKey of tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate?
The InChIKey is JMHKGZSKYQWXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-14(2,3)21-13(18)17-8-7-11(10-17)12(16-15)6-5-9-22(4,19)20/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate has a molecular weight of 335.47 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107093119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).