N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide

C12H24N2O3S — CID 110300491

IUPACN-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide
SMILESCN(C)CCCNC(=O)CCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-14(2)8-3-7-13-12(15)5-4-11-6-9-18(16,17)10-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyPBLZYHYYWCLRRI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.27
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide

N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 110300491) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID110300491
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide
SMILESCN(C)CCCNC(=O)CCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-14(2)8-3-7-13-12(15)5-4-11-6-9-18(16,17)10-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyPBLZYHYYWCLRRI-UHFFFAOYSA-N
XLogP0.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-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-(1,1-dioxothiolan-3-yl)propyl]-3,3-dimethylbutanamide
CID 110602993
CID 43558595
CID 43558595
3-(1,1-dioxothiolan-3-yl)-N-methoxypropanamide
CID 110421169
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
CID 110417136
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110617358
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
CID 110417130
methyl N-[2-(1,1-dioxothiolan-3-yl)ethyl]carbamate
CID 110722962
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
CID 107299589
3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 90705990

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide (CID 110300491) is N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide is CN(C)CCCNC(=O)CCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is PBLZYHYYWCLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(2)8-3-7-13-12(15)5-4-11-6-9-18(16,17)10-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide?
N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 276.40 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 110300491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).