N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine

C12H25NO4S — CID 63628945

IUPACN-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCOC(CCN(C)C1CCS(=O)(=O)C1)OCC
InChIInChI=1S/C12H25NO4S/c1-4-16-12(17-5-2)6-8-13(3)11-7-9-18(14,15)10-11/h11-12H,4-10H2,1-3H3
InChIKeyUUMYKABAPJCUAM-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.89
Rot. Bonds8

About N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine

N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 63628945) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID63628945
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCOC(CCN(C)C1CCS(=O)(=O)C1)OCC
InChIInChI=1S/C12H25NO4S/c1-4-16-12(17-5-2)6-8-13(3)11-7-9-18(14,15)10-11/h11-12H,4-10H2,1-3H3
InChIKeyUUMYKABAPJCUAM-UHFFFAOYSA-N
XLogP0.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine 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'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62561588
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62628744
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79614981
4-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethylbutanimidamide
CID 65252742
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891
1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62619786
N-(3-amino-3-sulfanylidenepropyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylpropanamide
CID 43648745
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
CID 54966234

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 63628945) is N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine is CCOC(CCN(C)C1CCS(=O)(=O)C1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is UUMYKABAPJCUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-4-16-12(17-5-2)6-8-13(3)11-7-9-18(14,15)10-11/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine?
N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 279.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63628945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).