N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide

C12H15NOS — CID 177260530

IUPACN-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide
SMILESCC(=O)NC1CSc2cc(C)ccc2C1
InChIInChI=1S/C12H15NOS/c1-8-3-4-10-6-11(13-9(2)14)7-15-12(10)5-8/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKeyHAIKYYVTOZZZPG-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.15
Rot. Bonds1

About N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide

N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide (PubChem CID 177260530) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide
PubChem CID177260530
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide
SMILESCC(=O)NC1CSc2cc(C)ccc2C1
InChIInChI=1S/C12H15NOS/c1-8-3-4-10-6-11(13-9(2)14)7-15-12(10)5-8/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKeyHAIKYYVTOZZZPG-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide?
The IUPAC name of N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide (CID 177260530) is N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide.
What is the SMILES notation for N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide?
The canonical SMILES for N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide is CC(=O)NC1CSc2cc(C)ccc2C1.
What is the InChIKey of N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide?
The InChIKey is HAIKYYVTOZZZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-3-4-10-6-11(13-9(2)14)7-15-12(10)5-8/h3-5,11H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide?
N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-3,4-dihydro-2H-thiochromen-3-yl)acetamide is sourced from PubChem (CID 177260530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).