(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone

C15H24N4OS — CID 50954761

IUPAC(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C15H24N4OS/c1-11(2)12-13(21-17-16-12)14(20)19-9-6-15(10-19)4-7-18(3)8-5-15/h11H,4-10H2,1-3H3
InChIKeyMJNLTMNEOWYPGM-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.22
Rot. Bonds2

About (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone

(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 50954761) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID50954761
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C15H24N4OS/c1-11(2)12-13(21-17-16-12)14(20)19-9-6-15(10-19)4-7-18(3)8-5-15/h11H,4-10H2,1-3H3
InChIKeyMJNLTMNEOWYPGM-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 50954761) is (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is MJNLTMNEOWYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(2)12-13(21-17-16-12)14(20)19-9-6-15(10-19)4-7-18(3)8-5-15/h11H,4-10H2,1-3H3.
What are the key properties of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 50954761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).