2-(4-methylthiophen-2-yl)ethylcarbamic acid

C8H11NO2S — CID 121305315

IUPAC2-(4-methylthiophen-2-yl)ethylcarbamic acid
SMILESCc1csc(CCNC(=O)O)c1
InChIInChI=1S/C8H11NO2S/c1-6-4-7(12-5-6)2-3-9-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyGSKOOIMNONDAFW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.87
Rot. Bonds3

About 2-(4-methylthiophen-2-yl)ethylcarbamic acid

2-(4-methylthiophen-2-yl)ethylcarbamic acid (PubChem CID 121305315) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)ethylcarbamic acid
PubChem CID121305315
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(4-methylthiophen-2-yl)ethylcarbamic acid
SMILESCc1csc(CCNC(=O)O)c1
InChIInChI=1S/C8H11NO2S/c1-6-4-7(12-5-6)2-3-9-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyGSKOOIMNONDAFW-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
Methyl[2-(4-methylthiophen-2-yl)ethyl]amine
CID 82595725
2-[2-[(3-Methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 2811522
Ethyl 2-(thiophen-2-yl)ethylcarbamate
CID 10867324
2-Thiophen-2-ylethylcarbamic acid
CID 15106739
(3-Cyclopentylthiophen-2-yl)methylcarbamic acid
CID 17951702
Thiophen-2-ylmethylcarbamic acid
CID 19043586
2-[[2-(4-Methylthiophen-2-yl)acetyl]amino]acetic acid
CID 20357789
(4-Cyanothiophen-2-yl)methylcarbamic acid
CID 21912520
N-Boc-2-(2-thienyl)ethanamine
CID 22726825
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838
2-[2-(3-Ethenylthiophen-2-yl)ethylamino]acetic acid
CID 53702794

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-methylthiophen-2-yl)ethylcarbamic acid (CID 121305315) is 2-(4-methylthiophen-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-methylthiophen-2-yl)ethylcarbamic acid is Cc1csc(CCNC(=O)O)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)ethylcarbamic acid?
The InChIKey is GSKOOIMNONDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-4-7(12-5-6)2-3-9-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylthiophen-2-yl)ethylcarbamic acid?
2-(4-methylthiophen-2-yl)ethylcarbamic acid has a molecular weight of 185.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)ethylcarbamic acid is sourced from PubChem (CID 121305315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).