2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide

C15H24N2OS — CID 2887407

IUPAC2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CCCCCCCCCC2
InChIInChI=1S/C15H24N2OS/c16-14(18)13-11-9-7-5-3-1-2-4-6-8-10-12(11)19-15(13)17/h1-10,17H2,(H2,16,18)
InChIKeyZWYJGZBVZUJYQE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.65
Rot. Bonds1

About 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide

2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide (PubChem CID 2887407) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
PubChem CID2887407
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CCCCCCCCCC2
InChIInChI=1S/C15H24N2OS/c16-14(18)13-11-9-7-5-3-1-2-4-6-8-10-12(11)19-15(13)17/h1-10,17H2,(H2,16,18)
InChIKeyZWYJGZBVZUJYQE-UHFFFAOYSA-N
XLogP3.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carboxamide
CID 2997881
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 290223
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one
CID 718273
2-Amino-4,5-dimethylthiophene-3-carboxamide
CID 592827
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 616673
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862027
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852749
methyl N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamate
CID 2162673
2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
CID 722048
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2861874

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide (CID 2887407) is 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide is NC(=O)c1c(N)sc2c1CCCCCCCCCC2.
What is the InChIKey of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
The InChIKey is ZWYJGZBVZUJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c16-14(18)13-11-9-7-5-3-1-2-4-6-8-10-12(11)19-15(13)17/h1-10,17H2,(H2,16,18).
What are the key properties of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide is sourced from PubChem (CID 2887407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).