3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine

C11H21FN2O2S — CID 112563941

IUPAC3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC2(F)CC(N)C2)C1
InChIInChI=1S/C11H21FN2O2S/c1-17(15,16)14-4-2-3-9(8-14)5-11(12)6-10(13)7-11/h9-10H,2-8,13H2,1H3
InChIKeyWNXAVQKXRJZIBM-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.88
Rot. Bonds3

About 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine

3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 112563941) has the molecular formula C11H21FN2O2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID112563941
Molecular FormulaC11H21FN2O2S
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC2(F)CC(N)C2)C1
InChIInChI=1S/C11H21FN2O2S/c1-17(15,16)14-4-2-3-9(8-14)5-11(12)6-10(13)7-11/h9-10H,2-8,13H2,1H3
InChIKeyWNXAVQKXRJZIBM-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 79612123
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166994

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine (CID 112563941) is 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine is CS(=O)(=O)N1CCCC(CC2(F)CC(N)C2)C1.
What is the InChIKey of 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is WNXAVQKXRJZIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2S/c1-17(15,16)14-4-2-3-9(8-14)5-11(12)6-10(13)7-11/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 112563941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).