N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C12H15N3OS — CID 133119346

IUPACN-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESN[C@H]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C1
InChIInChI=1S/C12H15N3OS/c13-7-1-2-8(5-7)14-12(16)10-6-11-9(15-10)3-4-17-11/h3-4,6-8,15H,1-2,5,13H2,(H,14,16)/t7-,8-/m0/s1
InChIKeyYWCWPMRSBHIZFK-YUMQZZPRSA-N
MW249.34 g/mol
LogP1.84
Rot. Bonds2

About N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 133119346) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID133119346
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESN[C@H]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C1
InChIInChI=1S/C12H15N3OS/c13-7-1-2-8(5-7)14-12(16)10-6-11-9(15-10)3-4-17-11/h3-4,6-8,15H,1-2,5,13H2,(H,14,16)/t7-,8-/m0/s1
InChIKeyYWCWPMRSBHIZFK-YUMQZZPRSA-N
XLogP1.84
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 133119346) is N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is N[C@H]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C1.
What is the InChIKey of N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YWCWPMRSBHIZFK-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-7-1-2-8(5-7)14-12(16)10-6-11-9(15-10)3-4-17-11/h3-4,6-8,15H,1-2,5,13H2,(H,14,16)/t7-,8-/m0/s1.
What are the key properties of N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 133119346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).