thiophen-2-ylmethylcarbamic acid

C6H7NO2S — CID 19043586

IUPACthiophen-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cccs1
InChIInChI=1S/C6H7NO2S/c8-6(9)7-4-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
InChIKeyKEJSIEWJWLSTAJ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.52
Rot. Bonds2

About thiophen-2-ylmethylcarbamic acid

thiophen-2-ylmethylcarbamic acid (PubChem CID 19043586) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is thiophen-2-ylmethylcarbamic acid.

Molecular Properties

Compound Namethiophen-2-ylmethylcarbamic acid
PubChem CID19043586
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namethiophen-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cccs1
InChIInChI=1S/C6H7NO2S/c8-6(9)7-4-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
InChIKeyKEJSIEWJWLSTAJ-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
((Thiophen-2-yl)methyl)urea
CID 2799110
Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
3-(Thiophen-2-ylmethylamino)propanoic acid
CID 3308288
(2Z)-4-oxo-4-[(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 5702373
N-(thiophen-2-ylmethyl)formamide
CID 21017864
N-(1-thiophen-2-ylethyl)formamide
CID 18681499
2,2,2-trifluoroethyl N-[(thiophen-2-yl)methyl]carbamate
CID 9450078
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
(5-Bromo-3-fluorothiophen-2-yl)methylcarbamic acid
CID 130344894
(3-Fluorothiophen-2-yl)methylcarbamic acid
CID 130345143

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethylcarbamic acid?
The IUPAC name of thiophen-2-ylmethylcarbamic acid (CID 19043586) is thiophen-2-ylmethylcarbamic acid.
What is the SMILES notation for thiophen-2-ylmethylcarbamic acid?
The canonical SMILES for thiophen-2-ylmethylcarbamic acid is O=C(O)NCc1cccs1.
What is the InChIKey of thiophen-2-ylmethylcarbamic acid?
The InChIKey is KEJSIEWJWLSTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-6(9)7-4-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9).
What are the key properties of thiophen-2-ylmethylcarbamic acid?
thiophen-2-ylmethylcarbamic acid has a molecular weight of 157.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethylcarbamic acid is sourced from PubChem (CID 19043586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).