N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C14H25N3O4S — CID 130471010

IUPACN-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(=O)NCCC(C)(C)OCN)C1=O
InChIInChI=1S/C14H25N3O4S/c1-14(2,21-9-15)5-6-16-11(18)4-7-17-12(19)8-10(22-3)13(17)20/h10H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyMVQJCYNNWVCEET-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.08
Rot. Bonds9

About N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 130471010) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID130471010
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(=O)NCCC(C)(C)OCN)C1=O
InChIInChI=1S/C14H25N3O4S/c1-14(2,21-9-15)5-6-16-11(18)4-7-17-12(19)8-10(22-3)13(17)20/h10H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyMVQJCYNNWVCEET-UHFFFAOYSA-N
XLogP0.08
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methylbutoxy)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58051574
N-[2-(3-ethoxypropylamino)ethyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 60126590
3-[3-(2-acetamidoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-ethylpropanamide
CID 70794467
N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 70984812
3-[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-propylpropanamide
CID 71047539
3-[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 71199588
N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 71289758
3-[3-[2-(3-Methoxy-3-methylbutoxy)ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]propanamide
CID 121371541
N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 123756990
N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126513662
N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126513721
3-[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(3-ethoxy-3-methylbutyl)propanamide
CID 126672402

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 130471010) is N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CSC1CC(=O)N(CCC(=O)NCCC(C)(C)OCN)C1=O.
What is the InChIKey of N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is MVQJCYNNWVCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-14(2,21-9-15)5-6-16-11(18)4-7-17-12(19)8-10(22-3)13(17)20/h10H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 331.44 g/mol, XLogP of 0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 130471010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).