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

C14H23N4O2S+ — CID 9374399

IUPAC(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(C[NH+]2CCCCC2)o1)C(=O)NC1CC1
InChIInChI=1S/C14H22N4O2S/c1-10(13(19)15-11-5-6-11)21-14-17-16-12(20-14)9-18-7-3-2-4-8-18/h10-11H,2-9H2,1H3,(H,15,19)/p+1/t10-/m0/s1
InChIKeyZOFSHYAXGYTFHA-JTQLQIEISA-O
MW311.43 g/mol
LogP0.40
Rot. Bonds6

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

(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 9374399) has the molecular formula C14H23N4O2S+ and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID9374399
Molecular FormulaC14H23N4O2S+
Molecular Weight311.43 g/mol
Exact Mass311.15
IUPAC Name(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(C[NH+]2CCCCC2)o1)C(=O)NC1CC1
InChIInChI=1S/C14H22N4O2S/c1-10(13(19)15-11-5-6-11)21-14-17-16-12(20-14)9-18-7-3-2-4-8-18/h10-11H,2-9H2,1H3,(H,15,19)/p+1/t10-/m0/s1
InChIKeyZOFSHYAXGYTFHA-JTQLQIEISA-O
XLogP0.40
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374472
(2S)-N-cyclopropyl-2-[[5-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9379373
(2R)-N-cyclopropyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7810568
N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9374378
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 78846605
dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377509
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2R)-N-cyclopentyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2472133
(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444175
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7562787
(2S)-N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683068

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 9374399) is (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1nnc(C[NH+]2CCCCC2)o1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is ZOFSHYAXGYTFHA-JTQLQIEISA-O. The full InChI is InChI=1S/C14H22N4O2S/c1-10(13(19)15-11-5-6-11)21-14-17-16-12(20-14)9-18-7-3-2-4-8-18/h10-11H,2-9H2,1H3,(H,15,19)/p+1/t10-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 9374399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).