4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C11H15NOS — CID 25236556

IUPAC4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C11H15NOS/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)14-10/h7H,1-6H2,(H2,12,13)
InChIKeyBEGCBXHNCXQIFA-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.51
Rot. Bonds1

About 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 25236556) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID25236556
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C11H15NOS/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)14-10/h7H,1-6H2,(H2,12,13)
InChIKeyBEGCBXHNCXQIFA-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 114962155
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115811385
N-(3-oxobutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64996741
2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)propanedinitrile
CID 79169023
cycloocten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 106655757
N-(1-carbamothioylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 61120338
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 25236556) is 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is NC(=O)c1cc2c(s1)CCCCCC2.
What is the InChIKey of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is BEGCBXHNCXQIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)14-10/h7H,1-6H2,(H2,12,13).
What are the key properties of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 209.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 25236556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).