2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C12H15NOS — CID 115166897

IUPAC2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(CS)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H15NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,15H,1-4,8H2,(H,13,14)
InChIKeyQJUJISXTHNLKIH-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.43
Rot. Bonds2

About 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 115166897) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID115166897
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(CS)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H15NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,15H,1-4,8H2,(H,13,14)
InChIKeyQJUJISXTHNLKIH-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 115166897) is 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(CS)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is QJUJISXTHNLKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,15H,1-4,8H2,(H,13,14).
What are the key properties of 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 115166897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).