3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid

C10H18F3N3O4S — CID 175947640

IUPAC3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(CCC1CNC1)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O2S.C2HF3O2/c9-14(12,13)11(8-1-2-8)4-3-7-5-10-6-7;3-2(4,5)1(6)7/h7-8,10H,1-6H2,(H2,9,12,13);(H,6,7)
InChIKeyWYRCFLZDHGFLQQ-UHFFFAOYSA-N
MW333.33 g/mol
LogP-0.10
Rot. Bonds5

About 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid

3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 175947640) has the molecular formula C10H18F3N3O4S and a molecular weight of 333.33 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
PubChem CID175947640
Molecular FormulaC10H18F3N3O4S
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(CCC1CNC1)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O2S.C2HF3O2/c9-14(12,13)11(8-1-2-8)4-3-7-5-10-6-7;3-2(4,5)1(6)7/h7-8,10H,1-6H2,(H2,9,12,13);(H,6,7)
InChIKeyWYRCFLZDHGFLQQ-UHFFFAOYSA-N
XLogP-0.10
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(Sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid
CID 175727572
3-[2-[Methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727592
3-[2-(Sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727596
1-Methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727790
3-[3-(Sulfamoylamino)propyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947604
6-[Cyclopropylmethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947606
6-[Cyclopropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947632
3-[2-[Propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947646
N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950903

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid (CID 175947640) is 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid is NS(=O)(=O)N(CCC1CNC1)C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is WYRCFLZDHGFLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S.C2HF3O2/c9-14(12,13)11(8-1-2-8)4-3-7-5-10-6-7;3-2(4,5)1(6)7/h7-8,10H,1-6H2,(H2,9,12,13);(H,6,7).
What are the key properties of 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 333.33 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).