tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate

C13H23FN2O5S — CID 168674727

IUPACtert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate
SMILESCC(CN1CC(CS(=O)(=O)F)CC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23FN2O5S/c1-9(15-12(18)21-13(2,3)4)6-16-7-10(5-11(16)17)8-22(14,19)20/h9-10H,5-8H2,1-4H3,(H,15,18)
InChIKeyQKUYIGGOFLHRJG-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.05
Rot. Bonds5

About tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate (PubChem CID 168674727) has the molecular formula C13H23FN2O5S and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate
PubChem CID168674727
Molecular FormulaC13H23FN2O5S
Molecular Weight338.40 g/mol
Exact Mass338.13
IUPAC Nametert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate
SMILESCC(CN1CC(CS(=O)(=O)F)CC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23FN2O5S/c1-9(15-12(18)21-13(2,3)4)6-16-7-10(5-11(16)17)8-22(14,19)20/h9-10H,5-8H2,1-4H3,(H,15,18)
InChIKeyQKUYIGGOFLHRJG-UHFFFAOYSA-N
XLogP1.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate 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 (3R,4R)-3-fluoro-4-(3-(methylsulfonyl)propanamido)pyrrolidine-1-carboxylate
CID 162342954
tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]cyclohexyl]carbamate
CID 168674621
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168674671
tert-butyl (3R)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168674672
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 168674673
tert-butyl (3R)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 168674675
Tert-butyl 2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168674677
tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168674684
3-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168674685
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168674688
(2S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168674691
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
CID 168674722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate (CID 168674727) is tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate is CC(CN1CC(CS(=O)(=O)F)CC1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate?
The InChIKey is QKUYIGGOFLHRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O5S/c1-9(15-12(18)21-13(2,3)4)6-16-7-10(5-11(16)17)8-22(14,19)20/h9-10H,5-8H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate has a molecular weight of 338.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 168674727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).