methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate

C9H13NO2S — CID 115575425

IUPACmethyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
SMILESCOC(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(8-5-4-6-13-8)10(2)9(11)12-3/h4-7H,1-3H3
InChIKeyAZBANDBSZOOKRK-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.51
Rot. Bonds2

About methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate

methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate (PubChem CID 115575425) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
PubChem CID115575425
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
SMILESCOC(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(8-5-4-6-13-8)10(2)9(11)12-3/h4-7H,1-3H3
InChIKeyAZBANDBSZOOKRK-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
2-(ethylamino)-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62834566
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
methyl 2-thiophen-2-ylpropanoate
CID 12819459

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate?
The IUPAC name of methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate (CID 115575425) is methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate is COC(=O)N(C)C(C)c1cccs1.
What is the InChIKey of methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate?
The InChIKey is AZBANDBSZOOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(8-5-4-6-13-8)10(2)9(11)12-3/h4-7H,1-3H3.
What are the key properties of methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate?
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate has a molecular weight of 199.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 115575425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).