tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate

C12H24N2O4S — CID 154068887

IUPACtert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)13(4)10-7-6-8-14(9-10)19(5,16)17/h10H,6-9H2,1-5H3
InChIKeyFMVXYLQJTJPTPJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.28
Rot. Bonds2

About tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate

tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate (PubChem CID 154068887) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate
PubChem CID154068887
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)13(4)10-7-6-8-14(9-10)19(5,16)17/h10H,6-9H2,1-5H3
InChIKeyFMVXYLQJTJPTPJ-UHFFFAOYSA-N
XLogP1.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate
CID 71647043
tert-butyl N-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylcarbamate
CID 75419194
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
tert-butyl N-[(3R)-1-[(4-methoxyphenyl)methylsulfonyl]piperidin-3-yl]-N-methylcarbamate
CID 97168220
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-[(3R)-1-[(4-cyanophenyl)methylsulfonyl]piperidin-3-yl]-N-methylcarbamate
CID 97166989
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769
tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175579
tert-butyl N-methyl-N-[(3R)-1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 129460391
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate (CID 154068887) is tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate is CN(C(=O)OC(C)(C)C)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate?
The InChIKey is FMVXYLQJTJPTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)13(4)10-7-6-8-14(9-10)19(5,16)17/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate?
tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate has a molecular weight of 292.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate is sourced from PubChem (CID 154068887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).