3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

C15H29N3O3S — CID 43057298

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)CCSCC(N)=O)N1CCOCC1
InChIInChI=1S/C15H29N3O3S/c1-12(2)9-13(18-4-6-21-7-5-18)10-17-15(20)3-8-22-11-14(16)19/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyCTCVLZFXNDBQLE-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.46
Rot. Bonds10

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (PubChem CID 43057298) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
PubChem CID43057298
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)CCSCC(N)=O)N1CCOCC1
InChIInChI=1S/C15H29N3O3S/c1-12(2)9-13(18-4-6-21-7-5-18)10-17-15(20)3-8-22-11-14(16)19/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyCTCVLZFXNDBQLE-UHFFFAOYSA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (CID 43057298) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is CC(C)CC(CNC(=O)CCSCC(N)=O)N1CCOCC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The InChIKey is CTCVLZFXNDBQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-12(2)9-13(18-4-6-21-7-5-18)10-17-15(20)3-8-22-11-14(16)19/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide has a molecular weight of 331.48 g/mol, XLogP of 0.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is sourced from PubChem (CID 43057298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).