1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine

C12H23F2NO2S — CID 114225773

IUPAC1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(CC1CCC(F)(F)C1)CS(C)(=O)=O
InChIInChI=1S/C12H23F2NO2S/c1-3-6-15-11(9-18(2,16)17)7-10-4-5-12(13,14)8-10/h10-11,15H,3-9H2,1-2H3
InChIKeyCPRRJUWIXAXLGI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds7

About 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine

1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine (PubChem CID 114225773) has the molecular formula C12H23F2NO2S and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine
PubChem CID114225773
Molecular FormulaC12H23F2NO2S
Molecular Weight283.38 g/mol
Exact Mass283.14
IUPAC Name1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(CC1CCC(F)(F)C1)CS(C)(=O)=O
InChIInChI=1S/C12H23F2NO2S/c1-3-6-15-11(9-18(2,16)17)7-10-4-5-12(13,14)8-10/h10-11,15H,3-9H2,1-2H3
InChIKeyCPRRJUWIXAXLGI-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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Related Compounds

1-methylsulfonyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55093714
1-(3,3-difluorocyclopentyl)-3-methyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 114225728
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973
4-methyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 115601883
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-methylsulfonyl-N-propylpent-4-yn-2-amine
CID 115601083
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine (CID 114225773) is 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine is CCCNC(CC1CCC(F)(F)C1)CS(C)(=O)=O.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The InChIKey is CPRRJUWIXAXLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2S/c1-3-6-15-11(9-18(2,16)17)7-10-4-5-12(13,14)8-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine?
1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-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)-3-methylsulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 114225773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).