4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C18H35N3OS — CID 162640104

IUPAC4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCCCCN1CCC2(CC1)SCC(=O)N2CCCN(C)C
InChIInChI=1S/C18H35N3OS/c1-4-5-6-7-12-20-14-9-18(10-15-20)21(17(22)16-23-18)13-8-11-19(2)3/h4-16H2,1-3H3
InChIKeyKJWOMLZJDKGWMD-UHFFFAOYSA-N
MW341.57 g/mol
LogP2.89
Rot. Bonds9

About 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 162640104) has the molecular formula C18H35N3OS and a molecular weight of 341.57 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID162640104
Molecular FormulaC18H35N3OS
Molecular Weight341.57 g/mol
Exact Mass341.25
IUPAC Name4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCCCCN1CCC2(CC1)SCC(=O)N2CCCN(C)C
InChIInChI=1S/C18H35N3OS/c1-4-5-6-7-12-20-14-9-18(10-15-20)21(17(22)16-23-18)13-8-11-19(2)3/h4-16H2,1-3H3
InChIKeyKJWOMLZJDKGWMD-UHFFFAOYSA-N
XLogP2.89
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 162640104) is 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCCCCCN1CCC2(CC1)SCC(=O)N2CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KJWOMLZJDKGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3OS/c1-4-5-6-7-12-20-14-9-18(10-15-20)21(17(22)16-23-18)13-8-11-19(2)3/h4-16H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 341.57 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 162640104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).