methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate

C9H13NO2S — CID 110870549

IUPACmethyl N-(2-thiophen-2-ylpropan-2-yl)carbamate
SMILESCOC(=O)NC(C)(C)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-9(2,10-8(11)12-3)7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11)
InChIKeyIKKWGOXTOUMRBZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.34
Rot. Bonds2

About methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate

methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate (PubChem CID 110870549) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-thiophen-2-ylpropan-2-yl)carbamate
PubChem CID110870549
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl N-(2-thiophen-2-ylpropan-2-yl)carbamate
SMILESCOC(=O)NC(C)(C)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-9(2,10-8(11)12-3)7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11)
InChIKeyIKKWGOXTOUMRBZ-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
N-ethoxycarbonylthiophene-2-thiocarboxamide
CID 12273969
methyl N-(thiophen-2-ylmethyl)carbamate
CID 4166857
2,2-dimethyl-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 58270010
ethyl N-(1-thiophen-2-ylethenyl)carbamate
CID 66909290
2-methyl-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 68346933
(1,1-Dimethyl-2-thiophen-2-yl-ethyl)-carbamic acid tert-butyl ester
CID 69065499
(1-Thiophen-2-ylcyclopropyl)carbamic acid tert-butyl ester
CID 69849935
[1-(5-Tributylstannylthiophen-2-yl)cyclopropyl]carbamic Acid Tert-Butyl Ester
CID 69987360
(2,2-Dimethyl-1-thiophen-2-ylpropyl)carbamic acid
CID 70162116
N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 89131882

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate?
The IUPAC name of methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate (CID 110870549) is methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate.
What is the SMILES notation for methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate?
The canonical SMILES for methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate is COC(=O)NC(C)(C)c1cccs1.
What is the InChIKey of methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate?
The InChIKey is IKKWGOXTOUMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(2,10-8(11)12-3)7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11).
What are the key properties of methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate?
methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate has a molecular weight of 199.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-thiophen-2-ylpropan-2-yl)carbamate is sourced from PubChem (CID 110870549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).