1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine

C9H18F2N2O2S — CID 114498941

IUPAC1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)C(F)F)CC1C
InChIInChI=1S/C9H18F2N2O2S/c1-3-12-8-4-5-13(6-7(8)2)16(14,15)9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyTYBSEHSISWITMT-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.86
Rot. Bonds4

About 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine

1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 114498941) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID114498941
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)C(F)F)CC1C
InChIInChI=1S/C9H18F2N2O2S/c1-3-12-8-4-5-13(6-7(8)2)16(14,15)9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyTYBSEHSISWITMT-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948
N-ethyl-3-methyl-1-morpholin-4-ylsulfonylpiperidin-4-amine
CID 114498907
(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
CID 176666128
(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane
CID 176666025
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
CID 114498922
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 114498903
1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
CID 60820125
3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
CID 114499016
(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 95780808
(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030730
(3R,4S)-3-methyl-N-[(Z)-3-phenylprop-2-enyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 97359461
(3S,4S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780787

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine (CID 114498941) is 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)C(F)F)CC1C.
What is the InChIKey of 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is TYBSEHSISWITMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-3-12-8-4-5-13(6-7(8)2)16(14,15)9(10)11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 256.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 114498941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).