2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine

C15H24N2S — CID 134936181

IUPAC2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine
SMILESCC1(C)CCCC(C)(C)N1NSc1ccccc1
InChIInChI=1S/C15H24N2S/c1-14(2)11-8-12-15(3,4)17(14)16-18-13-9-6-5-7-10-13/h5-7,9-10,16H,8,11-12H2,1-4H3
InChIKeyWHLRWKKBTQZILB-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.24
Rot. Bonds3

About 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine

2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine (PubChem CID 134936181) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine
PubChem CID134936181
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine
SMILESCC1(C)CCCC(C)(C)N1NSc1ccccc1
InChIInChI=1S/C15H24N2S/c1-14(2)11-8-12-15(3,4)17(14)16-18-13-9-6-5-7-10-13/h5-7,9-10,16H,8,11-12H2,1-4H3
InChIKeyWHLRWKKBTQZILB-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2,2,6,6-tetramethyl-1-phenylpiperidine
CID 175329536
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
2,2,6,6-tetramethyl-1-(1-phenylsulfanylhex-5-enoxy)piperidine
CID 15519063
(1-methylcyclobutyl)oxysulfanylbenzene
CID 131801507
(2,2,6,6-tetramethylpiperidin-1-yl)carbamic acid
CID 90425190
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 159951364
CID 162411162
CID 162411162
N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
CID 79222635
CID 137252116
CID 137252116
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine (CID 134936181) is 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine is CC1(C)CCCC(C)(C)N1NSc1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine?
The InChIKey is WHLRWKKBTQZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-14(2)11-8-12-15(3,4)17(14)16-18-13-9-6-5-7-10-13/h5-7,9-10,16H,8,11-12H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine?
2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine has a molecular weight of 264.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine is sourced from PubChem (CID 134936181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).