N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide

C11H22F3N3O2S — CID 83067864

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O2S/c1-17-6-4-10(9-15,5-7-17)16-20(18,19)8-2-3-11(12,13)14/h16H,2-9,15H2,1H3
InChIKeyZZDCVUKLHRSHDC-UHFFFAOYSA-N
MW317.38 g/mol
LogP0.67
Rot. Bonds6

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067864) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067864
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O2S/c1-17-6-4-10(9-15,5-7-17)16-20(18,19)8-2-3-11(12,13)14/h16H,2-9,15H2,1H3
InChIKeyZZDCVUKLHRSHDC-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83067864) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide is CN1CCC(CN)(NS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZZDCVUKLHRSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-17-6-4-10(9-15,5-7-17)16-20(18,19)8-2-3-11(12,13)14/h16H,2-9,15H2,1H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 317.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).