1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone

C17H24N2OS — CID 97393443

IUPAC1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
SMILESC=CCN1CCC[C@]12CCCN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C17H24N2OS/c1-2-8-19-10-4-7-17(19)6-3-9-18(14-17)16(20)12-15-5-11-21-13-15/h2,5,11,13H,1,3-4,6-10,12,14H2/t17-/m0/s1
InChIKeyWDHNLNVDNXUGGI-KRWDZBQOSA-N
MW304.46 g/mol
LogP2.93
Rot. Bonds4

About 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone

1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone (PubChem CID 97393443) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
PubChem CID97393443
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
SMILESC=CCN1CCC[C@]12CCCN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C17H24N2OS/c1-2-8-19-10-4-7-17(19)6-3-9-18(14-17)16(20)12-15-5-11-21-13-15/h2,5,11,13H,1,3-4,6-10,12,14H2/t17-/m0/s1
InChIKeyWDHNLNVDNXUGGI-KRWDZBQOSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
CID 97393465
[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97481759
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 97481852
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
1-[(5aS,9aR)-4-prop-2-enyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-3-ylethanone
CID 124808175
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-thiophen-3-ylethanone
CID 135112798

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone (CID 97393443) is 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone is C=CCN1CCC[C@]12CCCN(C(=O)Cc1ccsc1)C2.
What is the InChIKey of 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone?
The InChIKey is WDHNLNVDNXUGGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-8-19-10-4-7-17(19)6-3-9-18(14-17)16(20)12-15-5-11-21-13-15/h2,5,11,13H,1,3-4,6-10,12,14H2/t17-/m0/s1.
What are the key properties of 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone?
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone has a molecular weight of 304.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97393443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).