2-thiophen-2-ylethylcarbamic acid

C7H9NO2S — CID 15106739

IUPAC2-thiophen-2-ylethylcarbamic acid
SMILESO=C(O)NCCc1cccs1
InChIInChI=1S/C7H9NO2S/c9-7(10)8-4-3-6-2-1-5-11-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyHDTMXMHVXVGSME-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.56
Rot. Bonds3

About 2-thiophen-2-ylethylcarbamic acid

2-thiophen-2-ylethylcarbamic acid (PubChem CID 15106739) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-thiophen-2-ylethylcarbamic acid.

Molecular Properties

Compound Name2-thiophen-2-ylethylcarbamic acid
PubChem CID15106739
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-thiophen-2-ylethylcarbamic acid
SMILESO=C(O)NCCc1cccs1
InChIInChI=1S/C7H9NO2S/c9-7(10)8-4-3-6-2-1-5-11-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyHDTMXMHVXVGSME-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-(Thiophen-2-yl)ethyl)urea
CID 4962323
N-Methyl-2-(thiophen-2-yl)ethan-1-amine
CID 436154
1-Propyl-3-(2-thiophen-2-ylethyl)urea
CID 74229353
2-((2-(Thiophen-2-yl)ethyl)amino)acetic acid hydrochloride
CID 50988795
[(1-amino-2-thiophen-2-ylethylidene)amino] N-butylcarbamate
CID 2747253
[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] N-butylcarbamate
CID 5704509
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
(3-Fluorothiophen-2-yl)methylcarbamic acid
CID 130345143
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
3-methylsulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 45839371
[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] N-butylcarbamate
CID 6289809
2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47004940

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethylcarbamic acid?
The IUPAC name of 2-thiophen-2-ylethylcarbamic acid (CID 15106739) is 2-thiophen-2-ylethylcarbamic acid.
What is the SMILES notation for 2-thiophen-2-ylethylcarbamic acid?
The canonical SMILES for 2-thiophen-2-ylethylcarbamic acid is O=C(O)NCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethylcarbamic acid?
The InChIKey is HDTMXMHVXVGSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c9-7(10)8-4-3-6-2-1-5-11-6/h1-2,5,8H,3-4H2,(H,9,10).
What are the key properties of 2-thiophen-2-ylethylcarbamic acid?
2-thiophen-2-ylethylcarbamic acid has a molecular weight of 171.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethylcarbamic acid is sourced from PubChem (CID 15106739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).