1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine

C12H23F2NO2S — CID 114216204

IUPAC1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1CCC(F)(F)C1
InChIInChI=1S/C12H23F2NO2S/c1-3-18(16,17)8-4-5-11(15-2)10-6-7-12(13,14)9-10/h10-11,15H,3-9H2,1-2H3
InChIKeyGFYRHHCZPDPDGU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds7

About 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine

1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine (PubChem CID 114216204) has the molecular formula C12H23F2NO2S and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
PubChem CID114216204
Molecular FormulaC12H23F2NO2S
Molecular Weight283.38 g/mol
Exact Mass283.14
IUPAC Name1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1CCC(F)(F)C1
InChIInChI=1S/C12H23F2NO2S/c1-3-18(16,17)8-4-5-11(15-2)10-6-7-12(13,14)9-10/h10-11,15H,3-9H2,1-2H3
InChIKeyGFYRHHCZPDPDGU-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.22
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)-4-ethylsulfonyl-N-methylbutan-1-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine (CID 114216204) is 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine is CCS(=O)(=O)CCCC(NC)C1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
The InChIKey is GFYRHHCZPDPDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2S/c1-3-18(16,17)8-4-5-11(15-2)10-6-7-12(13,14)9-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine is sourced from PubChem (CID 114216204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).