3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid

C8H16F3N3O4S — CID 175727572

IUPAC3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid
SMILESCC(CNS(N)(=O)=O)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O2S.C2HF3O2/c1-5(6-3-8-4-6)2-9-12(7,10)11;3-2(4,5)1(6)7/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11);(H,6,7)
InChIKeyNODNIKRFOJEAEP-UHFFFAOYSA-N
MW307.29 g/mol
LogP-0.73
Rot. Bonds4

About 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid

3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 175727572) has the molecular formula C8H16F3N3O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid
PubChem CID175727572
Molecular FormulaC8H16F3N3O4S
Molecular Weight307.29 g/mol
Exact Mass307.08
IUPAC Name3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid
SMILESCC(CNS(N)(=O)=O)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O2S.C2HF3O2/c1-5(6-3-8-4-6)2-9-12(7,10)11;3-2(4,5)1(6)7/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11);(H,6,7)
InChIKeyNODNIKRFOJEAEP-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)azetidine;2,2,2-trifluoroacetic acid
CID 155943912
3-but-3-yn-2-ylazetidine;2,2,2-trifluoroacetic acid
CID 170912841
methyl (2R)-2-(azetidin-3-yloxy)propanoate;2,2,2-trifluoroacetic acid
CID 66742601
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789
2-(azetidin-3-yl)ethanesulfonyl fluoride;2,2,2-trifluoroacetic acid
CID 154578208
2-(sulfamoylamino)heptane;2,2,2-trifluoroacetic acid
CID 175947630
(1R,5S,6S)-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155846807
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
methyl 4-(azetidin-3-yl)-2-ethylpentanoate
CID 144562456
bis(N-[1-(azetidin-3-yl)propyl]-2,2,2-trifluoroacetamide);dihydrochloride
CID 160696319
3,6-diazabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 175917461
[1-cyclopropyl-2-(sulfamoylamino)ethyl]cyclopropane
CID 112695021

Frequently Asked Questions

What is the IUPAC name of 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid (CID 175727572) is 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid is CC(CNS(N)(=O)=O)C1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is NODNIKRFOJEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.C2HF3O2/c1-5(6-3-8-4-6)2-9-12(7,10)11;3-2(4,5)1(6)7/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11);(H,6,7).
What are the key properties of 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid?
3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 307.29 g/mol, XLogP of -0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175727572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).