1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C18H25N5O4S — CID 92710682

IUPAC1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESO=C([C@H]1CCCN1c1nnc(N2CCCC2=O)s1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25N5O4S/c24-14-4-2-8-23(14)17-20-19-16(28-17)22-7-1-3-13(22)15(25)21-9-5-18(6-10-21)26-11-12-27-18/h13H,1-12H2/t13-/m1/s1
InChIKeyZVKDCBDVYJUNQM-CYBMUJFWSA-N
MW407.50 g/mol
LogP1.00
Rot. Bonds3

About 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 92710682) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID92710682
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESO=C([C@H]1CCCN1c1nnc(N2CCCC2=O)s1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25N5O4S/c24-14-4-2-8-23(14)17-20-19-16(28-17)22-7-1-3-13(22)15(25)21-9-5-18(6-10-21)26-11-12-27-18/h13H,1-12H2/t13-/m1/s1
InChIKeyZVKDCBDVYJUNQM-CYBMUJFWSA-N
XLogP1.00
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 92710682) is 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is O=C([C@H]1CCCN1c1nnc(N2CCCC2=O)s1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is ZVKDCBDVYJUNQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O4S/c24-14-4-2-8-23(14)17-20-19-16(28-17)22-7-1-3-13(22)15(25)21-9-5-18(6-10-21)26-11-12-27-18/h13H,1-12H2/t13-/m1/s1.
What are the key properties of 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 407.50 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 92710682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).