N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

C12H23F2NO2S — CID 114223863

IUPACN-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCC1CCCC(F)(F)C1)S(C)(=O)=O
InChIInChI=1S/C12H23F2NO2S/c1-11(2,18(3,16)17)9-15-8-10-5-4-6-12(13,14)7-10/h10,15H,4-9H2,1-3H3
InChIKeyYHVVPHYGXJZEQE-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds5

About N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 114223863) has the molecular formula C12H23F2NO2S and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID114223863
Molecular FormulaC12H23F2NO2S
Molecular Weight283.38 g/mol
Exact Mass283.14
IUPAC NameN-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCC1CCCC(F)(F)C1)S(C)(=O)=O
InChIInChI=1S/C12H23F2NO2S/c1-11(2,18(3,16)17)9-15-8-10-5-4-6-12(13,14)7-10/h10,15H,4-9H2,1-3H3
InChIKeyYHVVPHYGXJZEQE-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79558553
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
CID 114224003
4-(tert-butylamino)-1-(3,3-difluorocyclohexyl)butan-2-one
CID 114225545
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
CID 124709989
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
N-cyclopentyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552375

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 114223863) is N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(CNCC1CCCC(F)(F)C1)S(C)(=O)=O.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is YHVVPHYGXJZEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2S/c1-11(2,18(3,16)17)9-15-8-10-5-4-6-12(13,14)7-10/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114223863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).