[3-(fluoromethylsulfonyl)cyclopentyl]methanamine

C7H14FNO2S — CID 84720541

IUPAC[3-(fluoromethylsulfonyl)cyclopentyl]methanamine
SMILESNCC1CCC(S(=O)(=O)CF)C1
InChIInChI=1S/C7H14FNO2S/c8-5-12(10,11)7-2-1-6(3-7)4-9/h6-7H,1-5,9H2
InChIKeyBTPZTDGLZKTVCL-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.46
Rot. Bonds3

About [3-(fluoromethylsulfonyl)cyclopentyl]methanamine

[3-(fluoromethylsulfonyl)cyclopentyl]methanamine (PubChem CID 84720541) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is [3-(fluoromethylsulfonyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-(fluoromethylsulfonyl)cyclopentyl]methanamine
PubChem CID84720541
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name[3-(fluoromethylsulfonyl)cyclopentyl]methanamine
SMILESNCC1CCC(S(=O)(=O)CF)C1
InChIInChI=1S/C7H14FNO2S/c8-5-12(10,11)7-2-1-6(3-7)4-9/h6-7H,1-5,9H2
InChIKeyBTPZTDGLZKTVCL-UHFFFAOYSA-N
XLogP0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methanesulfonylcyclopentyl)methanamine
CID 47003544
3-(Cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
CID 64697882
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
3-(1,1-Dioxothietan-3-yl)-3-fluoropropan-1-amine
CID 105439417
3-(2-Amino-1-fluoroethyl)-1lambda6-thiolane-1,1-dione
CID 105439418
2-(3-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 105439420
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-amine
CID 105449123
3-(4-Fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
CID 105449125
3-(3-Amino-1-fluoropropyl)-1lambda6-thiolane-1,1-dione
CID 105449129
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-amine
CID 105449130
2-(1,1-Dioxothian-3-yl)-2-fluoroethanamine
CID 105449132

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethylsulfonyl)cyclopentyl]methanamine?
The IUPAC name of [3-(fluoromethylsulfonyl)cyclopentyl]methanamine (CID 84720541) is [3-(fluoromethylsulfonyl)cyclopentyl]methanamine.
What is the SMILES notation for [3-(fluoromethylsulfonyl)cyclopentyl]methanamine?
The canonical SMILES for [3-(fluoromethylsulfonyl)cyclopentyl]methanamine is NCC1CCC(S(=O)(=O)CF)C1.
What is the InChIKey of [3-(fluoromethylsulfonyl)cyclopentyl]methanamine?
The InChIKey is BTPZTDGLZKTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-5-12(10,11)7-2-1-6(3-7)4-9/h6-7H,1-5,9H2.
What are the key properties of [3-(fluoromethylsulfonyl)cyclopentyl]methanamine?
[3-(fluoromethylsulfonyl)cyclopentyl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethylsulfonyl)cyclopentyl]methanamine is sourced from PubChem (CID 84720541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).