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

C10H20F3N3O4S — CID 175947646

IUPAC3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESCC(C)N(CCC1CNC1)S(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H19N3O2S.C2HF3O2/c1-7(2)11(14(9,12)13)4-3-8-5-10-6-8;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13);(H,6,7)
InChIKeySUSSNAMBQWTTCI-UHFFFAOYSA-N
MW335.35 g/mol
LogP0.14
Rot. Bonds5

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

3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 175947646) has the molecular formula C10H20F3N3O4S and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
PubChem CID175947646
Molecular FormulaC10H20F3N3O4S
Molecular Weight335.35 g/mol
Exact Mass335.11
IUPAC Name3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESCC(C)N(CCC1CNC1)S(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H19N3O2S.C2HF3O2/c1-7(2)11(14(9,12)13)4-3-8-5-10-6-8;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13);(H,6,7)
InChIKeySUSSNAMBQWTTCI-UHFFFAOYSA-N
XLogP0.14
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 50.14
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
[2-(Azetidin-3-yl)ethylamino]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727744
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
3-Methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947620
6-[Propyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947633
3-[2-[Cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947640

Frequently Asked Questions

What is the IUPAC name of 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid (CID 175947646) is 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid is CC(C)N(CCC1CNC1)S(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is SUSSNAMBQWTTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S.C2HF3O2/c1-7(2)11(14(9,12)13)4-3-8-5-10-6-8;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13);(H,6,7).
What are the key properties of 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 335.35 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).