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

C17H31N3O2S — CID 20919142

IUPAC8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1C(C(=O)NCCC(C)C)CSC12CCN(C)CC2
InChIInChI=1S/C17H31N3O2S/c1-5-15(21)20-14(16(22)18-9-6-13(2)3)12-23-17(20)7-10-19(4)11-8-17/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyVONVAFXKUFPBSM-UHFFFAOYSA-N
MW341.52 g/mol
LogP1.92
Rot. Bonds5

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

8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 20919142) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID20919142
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Name8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1C(C(=O)NCCC(C)C)CSC12CCN(C)CC2
InChIInChI=1S/C17H31N3O2S/c1-5-15(21)20-14(16(22)18-9-6-13(2)3)12-23-17(20)7-10-19(4)11-8-17/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyVONVAFXKUFPBSM-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 20919142) is 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCC(=O)N1C(C(=O)NCCC(C)C)CSC12CCN(C)CC2.
What is the InChIKey of 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is VONVAFXKUFPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-5-15(21)20-14(16(22)18-9-6-13(2)3)12-23-17(20)7-10-19(4)11-8-17/h13-14H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 341.52 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 20919142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).