N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine

C13H27FN2O2S — CID 107446636

IUPACN-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H27FN2O2S/c1-13(2,3)15-9-12(14)8-11-6-5-7-16(10-11)19(4,17)18/h11-12,15H,5-10H2,1-4H3
InChIKeyMLJGNTGGCMHSKM-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.77
Rot. Bonds5

About N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine (PubChem CID 107446636) has the molecular formula C13H27FN2O2S and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine
PubChem CID107446636
Molecular FormulaC13H27FN2O2S
Molecular Weight294.44 g/mol
Exact Mass294.18
IUPAC NameN-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H27FN2O2S/c1-13(2,3)15-9-12(14)8-11-6-5-7-16(10-11)19(4,17)18/h11-12,15H,5-10H2,1-4H3
InChIKeyMLJGNTGGCMHSKM-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357711
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-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358964
1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine
CID 121360899
1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine
CID 121360908
N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343511
N-[(4,4-difluoro-6-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343595
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343607
N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
CID 139343643
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine (CID 107446636) is N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is MLJGNTGGCMHSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O2S/c1-13(2,3)15-9-12(14)8-11-6-5-7-16(10-11)19(4,17)18/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).