(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide

C12H19N3O2S — CID 9373792

IUPAC(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)Sc1nnc(C2CC2)o1
InChIInChI=1S/C12H19N3O2S/c1-7(2)6-13-10(16)8(3)18-12-15-14-11(17-12)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyPIWCEXXTBOHSNN-QMMMGPOBSA-N
MW269.37 g/mol
LogP2.20
Rot. Bonds6

About (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide

(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide (PubChem CID 9373792) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
PubChem CID9373792
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)Sc1nnc(C2CC2)o1
InChIInChI=1S/C12H19N3O2S/c1-7(2)6-13-10(16)8(3)18-12-15-14-11(17-12)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyPIWCEXXTBOHSNN-QMMMGPOBSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide (CID 9373792) is (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@H](C)Sc1nnc(C2CC2)o1.
What is the InChIKey of (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide?
The InChIKey is PIWCEXXTBOHSNN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)6-13-10(16)8(3)18-12-15-14-11(17-12)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,13,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide?
(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide has a molecular weight of 269.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 9373792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).