6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine

C17H26F3N3O2S — CID 133486919

IUPAC6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C17H26F3N3O2S/c1-16(2,3)26(24,25)15-5-4-14(11-22-15)21-10-13-6-8-23(9-7-13)12-17(18,19)20/h4-5,11,13,21H,6-10,12H2,1-3H3
InChIKeyPPZGMTBKHPQJST-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.34
Rot. Bonds5

About 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine (PubChem CID 133486919) has the molecular formula C17H26F3N3O2S and a molecular weight of 393.48 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
PubChem CID133486919
Molecular FormulaC17H26F3N3O2S
Molecular Weight393.48 g/mol
Exact Mass393.17
IUPAC Name6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C17H26F3N3O2S/c1-16(2,3)26(24,25)15-5-4-14(11-22-15)21-10-13-6-8-23(9-7-13)12-17(18,19)20/h4-5,11,13,21H,6-10,12H2,1-3H3
InChIKeyPPZGMTBKHPQJST-UHFFFAOYSA-N
XLogP3.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine with MolForge

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Related Compounds

6-tert-butylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
CID 133360515
N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
CID 43675328
2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide
CID 133373776
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
CID 146228787
N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 133371456
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
CID 72699940
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 107131447
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine (CID 133486919) is 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine is CC(C)(C)S(=O)(=O)c1ccc(NCC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine?
The InChIKey is PPZGMTBKHPQJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O2S/c1-16(2,3)26(24,25)15-5-4-14(11-22-15)21-10-13-6-8-23(9-7-13)12-17(18,19)20/h4-5,11,13,21H,6-10,12H2,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine has a molecular weight of 393.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 133486919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).