methyl(2-thiophen-2-ylethyl)carbamic acid

C8H11NO2S — CID 115171206

IUPACmethyl(2-thiophen-2-ylethyl)carbamic acid
SMILESCN(CCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-9(8(10)11)5-4-7-3-2-6-12-7/h2-3,6H,4-5H2,1H3,(H,10,11)
InChIKeyBLVWBJOYZRERID-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.90
Rot. Bonds3

About methyl(2-thiophen-2-ylethyl)carbamic acid

methyl(2-thiophen-2-ylethyl)carbamic acid (PubChem CID 115171206) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl(2-thiophen-2-ylethyl)carbamic acid.

Molecular Properties

Compound Namemethyl(2-thiophen-2-ylethyl)carbamic acid
PubChem CID115171206
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl(2-thiophen-2-ylethyl)carbamic acid
SMILESCN(CCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-9(8(10)11)5-4-7-3-2-6-12-7/h2-3,6H,4-5H2,1H3,(H,10,11)
InChIKeyBLVWBJOYZRERID-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
N,N-diethyl-2-(2-thienyl)acetamide
CID 669955
2-CH2CH2Nme2 thiophene
CID 12646507
2-Thiophenepropanamine, N,N-dimethyl-
CID 546929
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-(2-Diethylaminoethyl) thiophene
CID 12243881
N,N-Dimethyl-2-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 19760547
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79036747
(4-Fluorothiophen-2-yl)methyl-methylcarbamic acid
CID 146570668
N-methyl-N-(thiophen-2-ylmethyl)formamide
CID 64990486

Frequently Asked Questions

What is the IUPAC name of methyl(2-thiophen-2-ylethyl)carbamic acid?
The IUPAC name of methyl(2-thiophen-2-ylethyl)carbamic acid (CID 115171206) is methyl(2-thiophen-2-ylethyl)carbamic acid.
What is the SMILES notation for methyl(2-thiophen-2-ylethyl)carbamic acid?
The canonical SMILES for methyl(2-thiophen-2-ylethyl)carbamic acid is CN(CCc1cccs1)C(=O)O.
What is the InChIKey of methyl(2-thiophen-2-ylethyl)carbamic acid?
The InChIKey is BLVWBJOYZRERID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9(8(10)11)5-4-7-3-2-6-12-7/h2-3,6H,4-5H2,1H3,(H,10,11).
What are the key properties of methyl(2-thiophen-2-ylethyl)carbamic acid?
methyl(2-thiophen-2-ylethyl)carbamic acid has a molecular weight of 185.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-thiophen-2-ylethyl)carbamic acid is sourced from PubChem (CID 115171206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).