1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one

C18H24N6O2S — CID 659756

IUPAC1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(CN1CCOCC1)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C18H24N6O2S/c25-17-7-4-8-23(17)14-16(13-22-9-11-26-12-10-22)27-18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyZJDOKZPRPXXILV-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.08
Rot. Bonds7

About 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one

1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one (PubChem CID 659756) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one
PubChem CID659756
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(CN1CCOCC1)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C18H24N6O2S/c25-17-7-4-8-23(17)14-16(13-22-9-11-26-12-10-22)27-18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyZJDOKZPRPXXILV-UHFFFAOYSA-N
XLogP1.08
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one (CID 659756) is 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one is O=C1CCCN1CC(CN1CCOCC1)Sc1nnnn1-c1ccccc1.
What is the InChIKey of 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one?
The InChIKey is ZJDOKZPRPXXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c25-17-7-4-8-23(17)14-16(13-22-9-11-26-12-10-22)27-18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2.
What are the key properties of 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one?
1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one has a molecular weight of 388.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 659756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).