N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide

C12H23F3N2O2S — CID 58864919

IUPACN-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)N1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O2S/c1-11(2,3)17-6-4-5-10(8-17)7-16-20(18,19)9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyBEVOQYSQNOOQRO-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.98
Rot. Bonds4

About N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide

N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 58864919) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID58864919
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)N1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O2S/c1-11(2,3)17-6-4-5-10(8-17)7-16-20(18,19)9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyBEVOQYSQNOOQRO-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
CID 95331031
2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-(2,2,2-trifluoro-ethyl)-amide
CID 66625054
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
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-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
CID 139343709
N-[[(3S,5S)-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343750
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 139358177

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide (CID 58864919) is N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide is CC(C)(C)N1CCCC(CNS(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is BEVOQYSQNOOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-11(2,3)17-6-4-5-10(8-17)7-16-20(18,19)9-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 58864919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).