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

C8H17F2N3O2S — CID 28940568

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H17F2N3O2S/c1-13-4-2-8(6-11,3-5-13)12-16(14,15)7(9)10/h7,12H,2-6,11H2,1H3
InChIKeyNCCRTPAOWGEBME-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.45
Rot. Bonds4

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

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide (PubChem CID 28940568) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide
PubChem CID28940568
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H17F2N3O2S/c1-13-4-2-8(6-11,3-5-13)12-16(14,15)7(9)10/h7,12H,2-6,11H2,1H3
InChIKeyNCCRTPAOWGEBME-UHFFFAOYSA-N
XLogP-0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 18614312
N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 57993191
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 59268340
N-[[1-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 69191416
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357714
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358961
N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide
CID 139302396
N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343511
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide (CID 28940568) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide is CN1CCC(CN)(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide?
The InChIKey is NCCRTPAOWGEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c1-13-4-2-8(6-11,3-5-13)12-16(14,15)7(9)10/h7,12H,2-6,11H2,1H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.45, 4 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]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).