tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate

C16H32N2O4S — CID 104537826

IUPACtert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(CS(C)(=O)=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O4S/c1-13(11-23(6,20)21)17-12-16(5)7-9-18(10-8-16)14(19)22-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKeyFNCRBPYCULJGJR-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.05
Rot. Bonds5

About tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 104537826) has the molecular formula C16H32N2O4S and a molecular weight of 348.51 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID104537826
Molecular FormulaC16H32N2O4S
Molecular Weight348.51 g/mol
Exact Mass348.21
IUPAC Nametert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(CS(C)(=O)=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O4S/c1-13(11-23(6,20)21)17-12-16(5)7-9-18(10-8-16)14(19)22-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKeyFNCRBPYCULJGJR-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 104537831
tert-butyl 4-methyl-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248052
tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 86789124
tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530876
tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530867
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107442987
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254572
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate (CID 104537826) is tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate is CC(CS(C)(=O)=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is FNCRBPYCULJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4S/c1-13(11-23(6,20)21)17-12-16(5)7-9-18(10-8-16)14(19)22-15(2,3)4/h13,17H,7-12H2,1-6H3.
What are the key properties of tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 348.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104537826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).