N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C13H19NOS — CID 6618854

IUPACN-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCCNC(=O)c1csc2c1CCCCC2
InChIInChI=1S/C13H19NOS/c1-2-8-14-13(15)11-9-16-12-7-5-3-4-6-10(11)12/h9H,2-8H2,1H3,(H,14,15)
InChIKeyPOALRMPNRYKOIG-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.16
Rot. Bonds3

About N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 6618854) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID6618854
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCCNC(=O)c1csc2c1CCCCC2
InChIInChI=1S/C13H19NOS/c1-2-8-14-13(15)11-9-16-12-7-5-3-4-6-10(11)12/h9H,2-8H2,1H3,(H,14,15)
InChIKeyPOALRMPNRYKOIG-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 6618854) is N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is CCCNC(=O)c1csc2c1CCCCC2.
What is the InChIKey of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is POALRMPNRYKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-8-14-13(15)11-9-16-12-7-5-3-4-6-10(11)12/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 6618854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).