2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide

C13H18N2OS — CID 79864013

IUPAC2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
SMILESCC1(C)CCc2sc(N)c(C(=O)NC3CC3)c21
InChIInChI=1S/C13H18N2OS/c1-13(2)6-5-8-10(13)9(11(14)17-8)12(16)15-7-3-4-7/h7H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyROVPKHHZBVTNOU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.45
Rot. Bonds2

About 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide

2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide (PubChem CID 79864013) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
PubChem CID79864013
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
SMILESCC1(C)CCc2sc(N)c(C(=O)NC3CC3)c21
InChIInChI=1S/C13H18N2OS/c1-13(2)6-5-8-10(13)9(11(14)17-8)12(16)15-7-3-4-7/h7H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyROVPKHHZBVTNOU-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide (CID 79864013) is 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide is CC1(C)CCc2sc(N)c(C(=O)NC3CC3)c21.
What is the InChIKey of 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ROVPKHHZBVTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-13(2)6-5-8-10(13)9(11(14)17-8)12(16)15-7-3-4-7/h7H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 79864013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).