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

C11H21F3N2O2S — CID 142582694

IUPACN-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)N1CCCC(CNS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-10(2,3)16-6-4-5-9(8-16)7-15-19(17,18)11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyKXOMYNGTEGCXDR-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.94
Rot. Bonds3

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

N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 142582694) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID142582694
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)N1CCCC(CNS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-10(2,3)16-6-4-5-9(8-16)7-15-19(17,18)11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyKXOMYNGTEGCXDR-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-3-methylpiperidinium trifluoromethanesulfonate
CID 137321312
4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17762144
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
1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 61791527
1,1,1-trifluoro-N-[[(3S)-piperidin-3-yl]methyl]methanesulfonamide
CID 68237974
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide
CID 139302396
N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
CID 139343325

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 142582694) is N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide is CC(C)(C)N1CCCC(CNS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is KXOMYNGTEGCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-10(2,3)16-6-4-5-9(8-16)7-15-19(17,18)11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.94, 3 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]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 142582694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).