tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate

C9H19NO4S — CID 23061773

IUPACtert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
SMILESCN(CCS(C)(=O)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-9(2,3)14-8(11)10(4)6-7-15(5,12)13/h6-7H2,1-5H3
InChIKeyVBHZPQUIHRONHI-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.90
Rot. Bonds3

About tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate

tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate (PubChem CID 23061773) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
PubChem CID23061773
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Nametert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
SMILESCN(CCS(C)(=O)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-9(2,3)14-8(11)10(4)6-7-15(5,12)13/h6-7H2,1-5H3
InChIKeyVBHZPQUIHRONHI-UHFFFAOYSA-N
XLogP0.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 166891909
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tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
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3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
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2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfonylbutanoic acid
CID 21476315
tert-butyl N-methyl-N-methylsulfonylcarbamate
CID 57476619
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
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CID 163409952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate (CID 23061773) is tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate is CN(CCS(C)(=O)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate?
The InChIKey is VBHZPQUIHRONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,3)14-8(11)10(4)6-7-15(5,12)13/h6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate?
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate has a molecular weight of 237.32 g/mol, XLogP of 0.90, 3 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-(2-methylsulfonylethyl)carbamate is sourced from PubChem (CID 23061773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).