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

C15H27N3O2S — CID 20919141

IUPAC8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1CSC2(CCN(C)CC2)N1C(=O)CC
InChIInChI=1S/C15H27N3O2S/c1-4-8-16-14(20)12-11-21-15(18(12)13(19)5-2)6-9-17(3)10-7-15/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyJOFQZPWBQUAMTE-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.29
Rot. Bonds4

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

8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 20919141) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID20919141
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1CSC2(CCN(C)CC2)N1C(=O)CC
InChIInChI=1S/C15H27N3O2S/c1-4-8-16-14(20)12-11-21-15(18(12)13(19)5-2)6-9-17(3)10-7-15/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyJOFQZPWBQUAMTE-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 20919141) is 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCCNC(=O)C1CSC2(CCN(C)CC2)N1C(=O)CC.
What is the InChIKey of 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JOFQZPWBQUAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-8-16-14(20)12-11-21-15(18(12)13(19)5-2)6-9-17(3)10-7-15/h12H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 20919141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).