3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine

C11H22FNO2S — CID 106735934

IUPAC3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CCC(N)C1
InChIInChI=1S/C11H22FNO2S/c1-10(2,3)16(14,15)7-6-11(12)5-4-9(13)8-11/h9H,4-8,13H2,1-3H3
InChIKeyJTYZBYOBRUMLBA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine

3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine (PubChem CID 106735934) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine
PubChem CID106735934
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CCC(N)C1
InChIInChI=1S/C11H22FNO2S/c1-10(2,3)16(14,15)7-6-11(12)5-4-9(13)8-11/h9H,4-8,13H2,1-3H3
InChIKeyJTYZBYOBRUMLBA-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3S)-3-ethylcyclopentyl]-3-fluoropropane-1-sulfonamide
CID 70642520
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-amine
CID 105449123
1-(3-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 105449139
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-amine
CID 105463169
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-amine
CID 105463170
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-amine
CID 105463171
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-1-amine
CID 105463174
3-(1,1-Dioxothiolan-3-yl)-2-fluoro-2-methylpropan-1-amine
CID 105463176
3-(1,1-Dioxothian-3-yl)-3-fluorobutan-2-amine
CID 105480910
3-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-amine
CID 105480911
4-Fluoro-4-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106735888
4-(2-Tert-butylsulfonylethyl)-4-fluorocyclohexan-1-amine
CID 106735889

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine (CID 106735934) is 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine is CC(C)(C)S(=O)(=O)CCC1(F)CCC(N)C1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine?
The InChIKey is JTYZBYOBRUMLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-10(2,3)16(14,15)7-6-11(12)5-4-9(13)8-11/h9H,4-8,13H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine?
3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 106735934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).