[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea

C6H10F3N3O3S — CID 140552167

IUPAC[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3O3S/c7-6(8,9)16(14,15)12-2-1-4(3-12)11-5(10)13/h4H,1-3H2,(H3,10,11,13)/t4-/m1/s1
InChIKeyRRMICABYMQTEQX-SCSAIBSYSA-N
MW261.22 g/mol
LogP-0.42
Rot. Bonds2

About [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea

[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea (PubChem CID 140552167) has the molecular formula C6H10F3N3O3S and a molecular weight of 261.22 g/mol. Its IUPAC name is [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea
PubChem CID140552167
Molecular FormulaC6H10F3N3O3S
Molecular Weight261.22 g/mol
Exact Mass261.04
IUPAC Name[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3O3S/c7-6(8,9)16(14,15)12-2-1-4(3-12)11-5(10)13/h4H,1-3H2,(H3,10,11,13)/t4-/m1/s1
InChIKeyRRMICABYMQTEQX-SCSAIBSYSA-N
XLogP-0.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-4-(methanesulfonamido)pyrrolidine-1-carboxamide
CID 177772560
4-(Ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxamide
CID 177772711
2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 131015407
(3S)-3-(methanesulfonamido)-N-methylpyrrolidine-1-carboxamide
CID 57698536
(3R)-3-(methanesulfonamido)-N-methylpyrrolidine-1-carboxamide
CID 57698544
3-(Methanesulfonamido)pyrrolidine-1-carboxamide
CID 130775990
(1-Sulfamoylpyrrolidin-3-yl)urea
CID 130771017

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea?
The IUPAC name of [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea (CID 140552167) is [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea is NC(=O)N[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea?
The InChIKey is RRMICABYMQTEQX-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10F3N3O3S/c7-6(8,9)16(14,15)12-2-1-4(3-12)11-5(10)13/h4H,1-3H2,(H3,10,11,13)/t4-/m1/s1.
What are the key properties of [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea?
[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea has a molecular weight of 261.22 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 140552167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).