sodium N-thiophen-2-ylcarbamate

C5H4NNaO2S — CID 70473734

IUPACsodium N-thiophen-2-ylcarbamate
SMILESO=C([O-])Nc1cccs1.[Na+]
InChIInChI=1S/C5H5NO2S.Na/c7-5(8)6-4-2-1-3-9-4;/h1-3,6H,(H,7,8);/q;+1/p-1
InChIKeyLTDFZBVGZMWLEC-UHFFFAOYSA-M
MW165.15 g/mol
LogP-2.49
Rot. Bonds1

About sodium N-thiophen-2-ylcarbamate

sodium N-thiophen-2-ylcarbamate (PubChem CID 70473734) has the molecular formula C5H4NNaO2S and a molecular weight of 165.15 g/mol. Its IUPAC name is sodium N-thiophen-2-ylcarbamate.

Molecular Properties

Compound Namesodium N-thiophen-2-ylcarbamate
PubChem CID70473734
Molecular FormulaC5H4NNaO2S
Molecular Weight165.15 g/mol
Exact Mass164.99
IUPAC Namesodium N-thiophen-2-ylcarbamate
SMILESO=C([O-])Nc1cccs1.[Na+]
InChIInChI=1S/C5H5NO2S.Na/c7-5(8)6-4-2-1-3-9-4;/h1-3,6H,(H,7,8);/q;+1/p-1
InChIKeyLTDFZBVGZMWLEC-UHFFFAOYSA-M
XLogP-2.49
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-2.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-thiophen-2-ylcarbamate
CID 19956166
thiophen-2-ylcarbamic acid
CID 19432670
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
trifluoromethyl N-thiophen-2-ylcarbamate
CID 13164378
1-(4-hydroxyphenyl)-3-thiophen-2-ylurea
CID 108889117
1-(4-bromophenyl)-3-thiophen-2-ylurea
CID 108889102
1-methyl-1-propan-2-yl-3-thiophen-2-ylurea
CID 131131659
sodium thiophene-2-carboxylate
CID 23672340
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
CID 162245041
CID 162245041
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204

Frequently Asked Questions

What is the IUPAC name of sodium N-thiophen-2-ylcarbamate?
The IUPAC name of sodium N-thiophen-2-ylcarbamate (CID 70473734) is sodium N-thiophen-2-ylcarbamate.
What is the SMILES notation for sodium N-thiophen-2-ylcarbamate?
The canonical SMILES for sodium N-thiophen-2-ylcarbamate is O=C([O-])Nc1cccs1.[Na+].
What is the InChIKey of sodium N-thiophen-2-ylcarbamate?
The InChIKey is LTDFZBVGZMWLEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2S.Na/c7-5(8)6-4-2-1-3-9-4;/h1-3,6H,(H,7,8);/q;+1/p-1.
What are the key properties of sodium N-thiophen-2-ylcarbamate?
sodium N-thiophen-2-ylcarbamate has a molecular weight of 165.15 g/mol, XLogP of -2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-thiophen-2-ylcarbamate is sourced from PubChem (CID 70473734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).