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

C16H29N3O2S — CID 126459032

IUPAC4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(=O)N1C(C(=O)NCCC(C)C)CSC12CCN(C)CC2
InChIInChI=1S/C16H29N3O2S/c1-12(2)5-8-17-15(21)14-11-22-16(19(14)13(3)20)6-9-18(4)10-7-16/h12,14H,5-11H2,1-4H3,(H,17,21)
InChIKeyBNEBPDSVUHETJL-UHFFFAOYSA-N
MW327.49 g/mol
LogP1.53
Rot. Bonds4

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

4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 126459032) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID126459032
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(=O)N1C(C(=O)NCCC(C)C)CSC12CCN(C)CC2
InChIInChI=1S/C16H29N3O2S/c1-12(2)5-8-17-15(21)14-11-22-16(19(14)13(3)20)6-9-18(4)10-7-16/h12,14H,5-11H2,1-4H3,(H,17,21)
InChIKeyBNEBPDSVUHETJL-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 126459032) is 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CC(=O)N1C(C(=O)NCCC(C)C)CSC12CCN(C)CC2.
What is the InChIKey of 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is BNEBPDSVUHETJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-12(2)5-8-17-15(21)14-11-22-16(19(14)13(3)20)6-9-18(4)10-7-16/h12,14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 327.49 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 126459032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).