3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine

C10H20FNO2S — CID 106735936

IUPAC3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
SMILESCC(C)S(=O)(=O)CCC1(F)CCC(N)C1
InChIInChI=1S/C10H20FNO2S/c1-8(2)15(13,14)6-5-10(11)4-3-9(12)7-10/h8-9H,3-7,12H2,1-2H3
InChIKeyQGBMSWTZQDDULR-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.42
Rot. Bonds4

About 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine

3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine (PubChem CID 106735936) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
PubChem CID106735936
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
SMILESCC(C)S(=O)(=O)CCC1(F)CCC(N)C1
InChIInChI=1S/C10H20FNO2S/c1-8(2)15(13,14)6-5-10(11)4-3-9(12)7-10/h8-9H,3-7,12H2,1-2H3
InChIKeyQGBMSWTZQDDULR-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.42
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-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine (CID 106735936) is 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine is CC(C)S(=O)(=O)CCC1(F)CCC(N)C1.
What is the InChIKey of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is QGBMSWTZQDDULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-8(2)15(13,14)6-5-10(11)4-3-9(12)7-10/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 106735936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).