N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C19H36N4O2S — CID 20919135

IUPACN-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1C(C(=O)NCCCN(CC)CC)CSC12CCN(C)CC2
InChIInChI=1S/C19H36N4O2S/c1-5-17(24)23-16(15-26-19(23)9-13-21(4)14-10-19)18(25)20-11-8-12-22(6-2)7-3/h16H,5-15H2,1-4H3,(H,20,25)
InChIKeyYIQJHKBBSVZYFR-UHFFFAOYSA-N
MW384.59 g/mol
LogP1.61
Rot. Bonds8

About N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 20919135) has the molecular formula C19H36N4O2S and a molecular weight of 384.59 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID20919135
Molecular FormulaC19H36N4O2S
Molecular Weight384.59 g/mol
Exact Mass384.26
IUPAC NameN-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1C(C(=O)NCCCN(CC)CC)CSC12CCN(C)CC2
InChIInChI=1S/C19H36N4O2S/c1-5-17(24)23-16(15-26-19(23)9-13-21(4)14-10-19)18(25)20-11-8-12-22(6-2)7-3/h16H,5-15H2,1-4H3,(H,20,25)
InChIKeyYIQJHKBBSVZYFR-UHFFFAOYSA-N
XLogP1.61
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 20919135) is N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCC(=O)N1C(C(=O)NCCCN(CC)CC)CSC12CCN(C)CC2.
What is the InChIKey of N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is YIQJHKBBSVZYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2S/c1-5-17(24)23-16(15-26-19(23)9-13-21(4)14-10-19)18(25)20-11-8-12-22(6-2)7-3/h16H,5-15H2,1-4H3,(H,20,25).
What are the key properties of N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 384.59 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 20919135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).