3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide

C14H28N2O5S2 — CID 113140538

IUPAC3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O5S2/c1-4-8-15(9-5-2)14(17)6-10-16(22(3,18)19)13-7-11-23(20,21)12-13/h13H,4-12H2,1-3H3
InChIKeyVHQASERWIHZODJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP0.47
Rot. Bonds9

About 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide

3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide (PubChem CID 113140538) has the molecular formula C14H28N2O5S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
PubChem CID113140538
Molecular FormulaC14H28N2O5S2
Molecular Weight368.52 g/mol
Exact Mass368.14
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O5S2/c1-4-8-15(9-5-2)14(17)6-10-16(22(3,18)19)13-7-11-23(20,21)12-13/h13H,4-12H2,1-3H3
InChIKeyVHQASERWIHZODJ-UHFFFAOYSA-N
XLogP0.47
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide 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

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147502
N-(1,1-dioxothiolan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113140500
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140508
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152337

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide (CID 113140538) is 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide?
The InChIKey is VHQASERWIHZODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5S2/c1-4-8-15(9-5-2)14(17)6-10-16(22(3,18)19)13-7-11-23(20,21)12-13/h13H,4-12H2,1-3H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide?
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide has a molecular weight of 368.52 g/mol, XLogP of 0.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide is sourced from PubChem (CID 113140538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).