N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide

C15H22N2OS — CID 94867277

IUPACN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C15H22N2OS/c18-15(5-4-12-7-10-19-11-12)16-13-6-9-17-8-2-1-3-14(13)17/h7,10-11,13-14H,1-6,8-9H2,(H,16,18)/t13-,14-/m0/s1
InChIKeyIUUSRRVSBCCYHM-KBPBESRZSA-N
MW278.42 g/mol
LogP2.42
Rot. Bonds4

About N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide (PubChem CID 94867277) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
PubChem CID94867277
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C15H22N2OS/c18-15(5-4-12-7-10-19-11-12)16-13-6-9-17-8-2-1-3-14(13)17/h7,10-11,13-14H,1-6,8-9H2,(H,16,18)/t13-,14-/m0/s1
InChIKeyIUUSRRVSBCCYHM-KBPBESRZSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
CID 95321388
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100838666
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
CID 119857974
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 75403364
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
CID 62832914
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 100851036
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(4-nitrophenyl)acetamide
CID 94869816

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide (CID 94867277) is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N[C@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is IUUSRRVSBCCYHM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-15(5-4-12-7-10-19-11-12)16-13-6-9-17-8-2-1-3-14(13)17/h7,10-11,13-14H,1-6,8-9H2,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide?
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 94867277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).