2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide

C18H22N6O2S — CID 49359748

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C18H22N6O2S/c25-16(12-27-18-20-21-22-24(18)15-7-8-15)19-14-5-3-4-13(10-14)11-23-9-2-1-6-17(23)26/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,25)
InChIKeyWSOSAFKCJKPTRF-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.25
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 49359748) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID49359748
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C18H22N6O2S/c25-16(12-27-18-20-21-22-24(18)15-7-8-15)19-14-5-3-4-13(10-14)11-23-9-2-1-6-17(23)26/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,25)
InChIKeyWSOSAFKCJKPTRF-UHFFFAOYSA-N
XLogP2.25
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide (CID 49359748) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide is O=C(CSc1nnnn1C1CC1)Nc1cccc(CN2CCCCC2=O)c1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is WSOSAFKCJKPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c25-16(12-27-18-20-21-22-24(18)15-7-8-15)19-14-5-3-4-13(10-14)11-23-9-2-1-6-17(23)26/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,25).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 49359748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).