N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid

C9H15F3N2O4S — CID 174204094

IUPACN-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(CC1CC1)NC1CNC1
InChIInChI=1S/C7H14N2O2S.C2HF3O2/c10-12(11,5-6-1-2-6)9-7-3-8-4-7;3-2(4,5)1(6)7/h6-9H,1-5H2;(H,6,7)
InChIKeyAIQWMLNEWOTVSI-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.08
Rot. Bonds4

About N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid

N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 174204094) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID174204094
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC NameN-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(CC1CC1)NC1CNC1
InChIInChI=1S/C7H14N2O2S.C2HF3O2/c10-12(11,5-6-1-2-6)9-7-3-8-4-7;3-2(4,5)1(6)7/h6-9H,1-5H2;(H,6,7)
InChIKeyAIQWMLNEWOTVSI-UHFFFAOYSA-N
XLogP-0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid (CID 174204094) is N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(CC1CC1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is AIQWMLNEWOTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S.C2HF3O2/c10-12(11,5-6-1-2-6)9-7-3-8-4-7;3-2(4,5)1(6)7/h6-9H,1-5H2;(H,6,7).
What are the key properties of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid?
N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 304.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174204094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).