tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate

C16H26N4O4S — CID 66798728

IUPACtert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1
InChIInChI=1S/C16H26N4O4S/c1-16(2,3)24-15(21)19(4)12-7-10-20(11-8-12)13-6-9-17-14(18-13)25(5,22)23/h6,9,12H,7-8,10-11H2,1-5H3
InChIKeyMILOKYBCUJUWJX-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 66798728) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID66798728
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Nametert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1
InChIInChI=1S/C16H26N4O4S/c1-16(2,3)24-15(21)19(4)12-7-10-20(11-8-12)13-6-9-17-14(18-13)25(5,22)23/h6,9,12H,7-8,10-11H2,1-5H3
InChIKeyMILOKYBCUJUWJX-UHFFFAOYSA-N
XLogP1.72
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate (CID 66798728) is tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is MILOKYBCUJUWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-16(2,3)24-15(21)19(4)12-7-10-20(11-8-12)13-6-9-17-14(18-13)25(5,22)23/h6,9,12H,7-8,10-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 370.48 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 66798728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).