N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide

C11H13NO2S — CID 115166948

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C11H13NO2S/c13-11(7-15)12-9-3-4-10-8(6-9)2-1-5-14-10/h3-4,6,15H,1-2,5,7H2,(H,12,13)
InChIKeyZLVHJWMGWCWPKN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.88
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide

N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide (PubChem CID 115166948) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
PubChem CID115166948
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C11H13NO2S/c13-11(7-15)12-9-3-4-10-8(6-9)2-1-5-14-10/h3-4,6,15H,1-2,5,7H2,(H,12,13)
InChIKeyZLVHJWMGWCWPKN-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
N-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119767368
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide
CID 110771181
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide (CID 115166948) is N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide is O=C(CS)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide?
The InChIKey is ZLVHJWMGWCWPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(7-15)12-9-3-4-10-8(6-9)2-1-5-14-10/h3-4,6,15H,1-2,5,7H2,(H,12,13).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide?
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide has a molecular weight of 223.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide is sourced from PubChem (CID 115166948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).