7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H30N4OS — CID 72897964

IUPAC7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnsc1CN1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3
InChIKeyZTSJIWDOKVVDBV-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.28
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72897964) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72897964
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnsc1CN1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3
InChIKeyZTSJIWDOKVVDBV-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72897964) is 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1nnsc1CN1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZTSJIWDOKVVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72897964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).