(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine

C6H12F3N3O2S — CID 104978131

IUPAC(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
SMILESO=S(=O)(NCC(F)(F)F)N[C@@H]1CCNC1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-5-1-2-10-3-5/h5,10-12H,1-4H2/t5-/m1/s1
InChIKeySGIDADOMBQPGRI-RXMQYKEDSA-N
MW247.24 g/mol
LogP-0.67
Rot. Bonds4

About (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine

(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine (PubChem CID 104978131) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
PubChem CID104978131
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC Name(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
SMILESO=S(=O)(NCC(F)(F)F)N[C@@H]1CCNC1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-5-1-2-10-3-5/h5,10-12H,1-4H2/t5-/m1/s1
InChIKeySGIDADOMBQPGRI-RXMQYKEDSA-N
XLogP-0.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine
CID 114807420
1-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride
CID 120905381
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
(3R)-N-(2-methylpropylsulfamoyl)piperidin-3-amine
CID 104978718
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
N-(2-pyrrolidin-3-ylethylsulfamoyl)cyclopropanamine
CID 114810747
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
N-(2-methoxyethylsulfamoyl)piperidin-3-amine
CID 114814253

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine (CID 104978131) is (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine is O=S(=O)(NCC(F)(F)F)N[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine?
The InChIKey is SGIDADOMBQPGRI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-5-1-2-10-3-5/h5,10-12H,1-4H2/t5-/m1/s1.
What are the key properties of (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine?
(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine has a molecular weight of 247.24 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine is sourced from PubChem (CID 104978131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).