1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one

C10H18N2O3S — CID 104522521

IUPAC1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CC(N)(C2CC2)C1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-7(16(2,14)15)9(13)12-5-10(11,6-12)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyNTCIGMSCSIYYFF-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.63
Rot. Bonds3

About 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one

1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one (PubChem CID 104522521) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one
PubChem CID104522521
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CC(N)(C2CC2)C1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-7(16(2,14)15)9(13)12-5-10(11,6-12)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyNTCIGMSCSIYYFF-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 115582876
1-(4-chloropiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 104522220
3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide
CID 79162193
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 114501575
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-methylsulfonylpropan-1-one
CID 104517904
methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
CID 114467046
(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
CID 107218806
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
3-[1-(2-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 104517631
(2S)-1-[(3R)-3-ethoxypiperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95191999
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 129496272
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 112692300

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one (CID 104522521) is 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one is CC(C(=O)N1CC(N)(C2CC2)C1)S(C)(=O)=O.
What is the InChIKey of 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one?
The InChIKey is NTCIGMSCSIYYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7(16(2,14)15)9(13)12-5-10(11,6-12)8-3-4-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one?
1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one has a molecular weight of 246.33 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 104522521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).