1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine

C9H18F2N2O2S — CID 60820125

IUPAC1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-2-5-12-8-3-6-13(7-4-8)16(14,15)9(10)11/h8-9,12H,2-7H2,1H3
InChIKeyFGXDDASWVPOMFA-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.00
Rot. Bonds5

About 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine

1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine (PubChem CID 60820125) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
PubChem CID60820125
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-2-5-12-8-3-6-13(7-4-8)16(14,15)9(10)11/h8-9,12H,2-7H2,1H3
InChIKeyFGXDDASWVPOMFA-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
1-morpholin-4-ylsulfonyl-N-propylpiperidin-4-amine
CID 54923533
1-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methyl-3-propylguanidine
CID 119148642
1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
CID 178010321
1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
CID 79123252
1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498941
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
4-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80668701
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 54592998

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine (CID 60820125) is 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine is CCCNC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine?
The InChIKey is FGXDDASWVPOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-2-5-12-8-3-6-13(7-4-8)16(14,15)9(10)11/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine?
1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine has a molecular weight of 256.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 60820125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).