N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide

C9H11NOS — CID 143287189

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide
SMILESO=CNc1cc2c(s1)CCCC2
InChIInChI=1S/C9H11NOS/c11-6-10-9-5-7-3-1-2-4-8(7)12-9/h5-6H,1-4H2,(H,10,11)
InChIKeyNPHUDAARZDTOCB-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.20
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide (PubChem CID 143287189) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide
PubChem CID143287189
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide
SMILESO=CNc1cc2c(s1)CCCC2
InChIInChI=1S/C9H11NOS/c11-6-10-9-5-7-3-1-2-4-8(7)12-9/h5-6H,1-4H2,(H,10,11)
InChIKeyNPHUDAARZDTOCB-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.20
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-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide (CID 143287189) is N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide is O=CNc1cc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
The InChIKey is NPHUDAARZDTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-6-10-9-5-7-3-1-2-4-8(7)12-9/h5-6H,1-4H2,(H,10,11).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide has a molecular weight of 181.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide is sourced from PubChem (CID 143287189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).