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

C12H21FN2O5S — CID 168675089

IUPACtert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H21FN2O5S/c1-12(2,3)20-11(17)14-4-5-15-7-9(6-10(15)16)8-21(13,18)19/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyDEYPNLPLBHICAT-UHFFFAOYSA-N
MW324.37 g/mol
LogP0.66
Rot. Bonds5

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

tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate (PubChem CID 168675089) has the molecular formula C12H21FN2O5S and a molecular weight of 324.37 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
PubChem CID168675089
Molecular FormulaC12H21FN2O5S
Molecular Weight324.37 g/mol
Exact Mass324.12
IUPAC Nametert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H21FN2O5S/c1-12(2,3)20-11(17)14-4-5-15-7-9(6-10(15)16)8-21(13,18)19/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyDEYPNLPLBHICAT-UHFFFAOYSA-N
XLogP0.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate
CID 136573574
tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]cyclohexyl]carbamate
CID 168674621
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
tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate
CID 168674727
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propyl]-N-methylcarbamate
CID 168675048
tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate
CID 168675049
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylazetidine-1-carboxylate
CID 168675051
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168675053
Tert-butyl 4-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propyl]piperazine-1-carboxylate
CID 168675081

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate (CID 168675089) is tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is DEYPNLPLBHICAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O5S/c1-12(2,3)20-11(17)14-4-5-15-7-9(6-10(15)16)8-21(13,18)19/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 324.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 168675089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).