2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H30N4OS — CID 70735082

IUPAC2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1nnsc1CN1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C19H30N4OS/c1-14(2)18-16(25-21-20-18)11-22-9-3-7-19(12-22)8-6-17(24)23(13-19)10-15-4-5-15/h14-15H,3-13H2,1-2H3
InChIKeyJJQOXQHNKHMDGP-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.28
Rot. Bonds5

About 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70735082) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70735082
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1nnsc1CN1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C19H30N4OS/c1-14(2)18-16(25-21-20-18)11-22-9-3-7-19(12-22)8-6-17(24)23(13-19)10-15-4-5-15/h14-15H,3-13H2,1-2H3
InChIKeyJJQOXQHNKHMDGP-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 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70735082) is 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CC(C)c1nnsc1CN1CCCC2(CCC(=O)N(CC3CC3)C2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JJQOXQHNKHMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-14(2)18-16(25-21-20-18)11-22-9-3-7-19(12-22)8-6-17(24)23(13-19)10-15-4-5-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-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 2-(cyclopropylmethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70735082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).