3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid

C8H16F3N3O4S — CID 175947620

IUPAC3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESCC1(CCNS(N)(=O)=O)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O2S.C2HF3O2/c1-6(4-8-5-6)2-3-9-12(7,10)11;3-2(4,5)1(6)7/h8-9H,2-5H2,1H3,(H2,7,10,11);(H,6,7)
InChIKeyBZKIQSBQTWOROH-UHFFFAOYSA-N
MW307.29 g/mol
LogP-0.59
Rot. Bonds4

About 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid

3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 175947620) has the molecular formula C8H16F3N3O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
PubChem CID175947620
Molecular FormulaC8H16F3N3O4S
Molecular Weight307.29 g/mol
Exact Mass307.08
IUPAC Name3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESCC1(CCNS(N)(=O)=O)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O2S.C2HF3O2/c1-6(4-8-5-6)2-3-9-12(7,10)11;3-2(4,5)1(6)7/h8-9H,2-5H2,1H3,(H2,7,10,11);(H,6,7)
InChIKeyBZKIQSBQTWOROH-UHFFFAOYSA-N
XLogP-0.59
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[3-Methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 163275116
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
6-[Ethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947595
3-[3-(Sulfamoylamino)propyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947604
6-[2,2-Dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947605
6-[Propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947608
6-[Propyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947633
6-[Butyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947641
3-[2-[Propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947646

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid (CID 175947620) is 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid is CC1(CCNS(N)(=O)=O)CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is BZKIQSBQTWOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.C2HF3O2/c1-6(4-8-5-6)2-3-9-12(7,10)11;3-2(4,5)1(6)7/h8-9H,2-5H2,1H3,(H2,7,10,11);(H,6,7).
What are the key properties of 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 307.29 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).