N-(4-methyl-8aH-thiochromen-2-yl)formamide

C11H11NOS — CID 173435970

IUPACN-(4-methyl-8aH-thiochromen-2-yl)formamide
SMILESCC1=C2C=CC=CC2SC(NC=O)=C1
InChIInChI=1S/C11H11NOS/c1-8-6-11(12-7-13)14-10-5-3-2-4-9(8)10/h2-7,10H,1H3,(H,12,13)
InChIKeyOLRUHHANMMYWEH-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.13
Rot. Bonds2

About N-(4-methyl-8aH-thiochromen-2-yl)formamide

N-(4-methyl-8aH-thiochromen-2-yl)formamide (PubChem CID 173435970) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(4-methyl-8aH-thiochromen-2-yl)formamide.

Molecular Properties

Compound NameN-(4-methyl-8aH-thiochromen-2-yl)formamide
PubChem CID173435970
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC NameN-(4-methyl-8aH-thiochromen-2-yl)formamide
SMILESCC1=C2C=CC=CC2SC(NC=O)=C1
InChIInChI=1S/C11H11NOS/c1-8-6-11(12-7-13)14-10-5-3-2-4-9(8)10/h2-7,10H,1H3,(H,12,13)
InChIKeyOLRUHHANMMYWEH-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-8aH-thiochromen-2-yl)formamide?
The IUPAC name of N-(4-methyl-8aH-thiochromen-2-yl)formamide (CID 173435970) is N-(4-methyl-8aH-thiochromen-2-yl)formamide.
What is the SMILES notation for N-(4-methyl-8aH-thiochromen-2-yl)formamide?
The canonical SMILES for N-(4-methyl-8aH-thiochromen-2-yl)formamide is CC1=C2C=CC=CC2SC(NC=O)=C1.
What is the InChIKey of N-(4-methyl-8aH-thiochromen-2-yl)formamide?
The InChIKey is OLRUHHANMMYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-6-11(12-7-13)14-10-5-3-2-4-9(8)10/h2-7,10H,1H3,(H,12,13).
What are the key properties of N-(4-methyl-8aH-thiochromen-2-yl)formamide?
N-(4-methyl-8aH-thiochromen-2-yl)formamide has a molecular weight of 205.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-8aH-thiochromen-2-yl)formamide is sourced from PubChem (CID 173435970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).