tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate

C17H33N3O4S — CID 58035180

IUPACtert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCN(C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H33N3O4S/c1-17(2,3)24-16(21)20-12-8-15(9-13-20)19-10-6-14(7-11-19)18(4)25(5,22)23/h14-15H,6-13H2,1-5H3
InChIKeyUDGZZOMOCXWXHD-UHFFFAOYSA-N
MW375.54 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 58035180) has the molecular formula C17H33N3O4S and a molecular weight of 375.54 g/mol. Its IUPAC name is tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID58035180
Molecular FormulaC17H33N3O4S
Molecular Weight375.54 g/mol
Exact Mass375.22
IUPAC Nametert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCN(C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H33N3O4S/c1-17(2,3)24-16(21)20-12-8-15(9-13-20)19-10-6-14(7-11-19)18(4)25(5,22)23/h14-15H,6-13H2,1-5H3
InChIKeyUDGZZOMOCXWXHD-UHFFFAOYSA-N
XLogP1.74
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate (CID 58035180) is tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate is CN(C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O.
What is the InChIKey of tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is UDGZZOMOCXWXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4S/c1-17(2,3)24-16(21)20-12-8-15(9-13-20)19-10-6-14(7-11-19)18(4)25(5,22)23/h14-15H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 375.54 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58035180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).