tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate

C16H28N2O4S — CID 136572704

IUPACtert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(NS(=O)(=O)C3(C)CC3)CC2)C1
InChIInChI=1S/C16H28N2O4S/c1-14(2,3)22-13(19)18-10-5-12(11-18)16(8-9-16)17-23(20,21)15(4)6-7-15/h12,17H,5-11H2,1-4H3
InChIKeyGIVMCWJJXQUWSM-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.25
Rot. Bonds4

About tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate

tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate (PubChem CID 136572704) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate
PubChem CID136572704
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Nametert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(NS(=O)(=O)C3(C)CC3)CC2)C1
InChIInChI=1S/C16H28N2O4S/c1-14(2,3)22-13(19)18-10-5-12(11-18)16(8-9-16)17-23(20,21)15(4)6-7-15/h12,17H,5-11H2,1-4H3
InChIKeyGIVMCWJJXQUWSM-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 171084730
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CID 154468879
tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3R)-3-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 130757419
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CID 57429712
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
CID 166071281
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
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CID 125499804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate (CID 136572704) is tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2(NS(=O)(=O)C3(C)CC3)CC2)C1.
What is the InChIKey of tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate?
The InChIKey is GIVMCWJJXQUWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-14(2,3)22-13(19)18-10-5-12(11-18)16(8-9-16)17-23(20,21)15(4)6-7-15/h12,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate has a molecular weight of 344.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 136572704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).