1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile

C11H16N4OS — CID 79577403

IUPAC1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
SMILESCc1nnc(SCCC2CCCC2(N)C#N)o1
InChIInChI=1S/C11H16N4OS/c1-8-14-15-10(16-8)17-6-4-9-3-2-5-11(9,13)7-12/h9H,2-6,13H2,1H3
InChIKeyHYWVBUUHUZVKLC-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.88
Rot. Bonds4

About 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79577403) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
PubChem CID79577403
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
SMILESCc1nnc(SCCC2CCCC2(N)C#N)o1
InChIInChI=1S/C11H16N4OS/c1-8-14-15-10(16-8)17-6-4-9-3-2-5-11(9,13)7-12/h9H,2-6,13H2,1H3
InChIKeyHYWVBUUHUZVKLC-UHFFFAOYSA-N
XLogP1.88
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile (CID 79577403) is 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile is Cc1nnc(SCCC2CCCC2(N)C#N)o1.
What is the InChIKey of 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is HYWVBUUHUZVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-14-15-10(16-8)17-6-4-9-3-2-5-11(9,13)7-12/h9H,2-6,13H2,1H3.
What are the key properties of 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 252.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).