2-pyridin-2-ylsulfanylethylcarbamic acid

C8H10N2O2S — CID 22357478

IUPAC2-pyridin-2-ylsulfanylethylcarbamic acid
SMILESO=C(O)NCCSc1ccccn1
InChIInChI=1S/C8H10N2O2S/c11-8(12)10-5-6-13-7-3-1-2-4-9-7/h1-4,10H,5-6H2,(H,11,12)
InChIKeyFDMNCIOYQMEYOL-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.44
Rot. Bonds4

About 2-pyridin-2-ylsulfanylethylcarbamic acid

2-pyridin-2-ylsulfanylethylcarbamic acid (PubChem CID 22357478) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylethylcarbamic acid.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylethylcarbamic acid
PubChem CID22357478
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-pyridin-2-ylsulfanylethylcarbamic acid
SMILESO=C(O)NCCSc1ccccn1
InChIInChI=1S/C8H10N2O2S/c11-8(12)10-5-6-13-7-3-1-2-4-9-7/h1-4,10H,5-6H2,(H,11,12)
InChIKeyFDMNCIOYQMEYOL-UHFFFAOYSA-N
XLogP1.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(2-pyridin-2-ylsulfanylethyl)thiourea
CID 110182038
N-(4-pyridin-2-ylsulfanylbutyl)benzamide
CID 67642549
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
CID 74236898
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2266421
2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 19079171
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 97208277
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
(2R)-1-methyl-N-(2-pyridin-2-ylsulfanylethyl)azepane-2-carboxamide
CID 97189055
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanylethylcarbamic acid?
The IUPAC name of 2-pyridin-2-ylsulfanylethylcarbamic acid (CID 22357478) is 2-pyridin-2-ylsulfanylethylcarbamic acid.
What is the SMILES notation for 2-pyridin-2-ylsulfanylethylcarbamic acid?
The canonical SMILES for 2-pyridin-2-ylsulfanylethylcarbamic acid is O=C(O)NCCSc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfanylethylcarbamic acid?
The InChIKey is FDMNCIOYQMEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(12)10-5-6-13-7-3-1-2-4-9-7/h1-4,10H,5-6H2,(H,11,12).
What are the key properties of 2-pyridin-2-ylsulfanylethylcarbamic acid?
2-pyridin-2-ylsulfanylethylcarbamic acid has a molecular weight of 198.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanylethylcarbamic acid is sourced from PubChem (CID 22357478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).