1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine

C11H21F2NO2S — CID 114225745

IUPAC1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine
SMILESCNC(CC1CCC(F)(F)C1)C(C)S(C)(=O)=O
InChIInChI=1S/C11H21F2NO2S/c1-8(17(3,15)16)10(14-2)6-9-4-5-11(12,13)7-9/h8-10,14H,4-7H2,1-3H3
InChIKeyLKMUWBYMYDFRFM-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.83
Rot. Bonds5

About 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine

1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 114225745) has the molecular formula C11H21F2NO2S and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine
PubChem CID114225745
Molecular FormulaC11H21F2NO2S
Molecular Weight269.36 g/mol
Exact Mass269.13
IUPAC Name1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine
SMILESCNC(CC1CCC(F)(F)C1)C(C)S(C)(=O)=O
InChIInChI=1S/C11H21F2NO2S/c1-8(17(3,15)16)10(14-2)6-9-4-5-11(12,13)7-9/h8-10,14H,4-7H2,1-3H3
InChIKeyLKMUWBYMYDFRFM-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine (CID 114225745) is 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine is CNC(CC1CCC(F)(F)C1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is LKMUWBYMYDFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2S/c1-8(17(3,15)16)10(14-2)6-9-4-5-11(12,13)7-9/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine?
1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 114225745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).