2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide

C13H26N2O5S2 — CID 113152388

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-4-7-14(8-5-2)13(16)10-15(21(3,17)18)12-6-9-22(19,20)11-12/h12H,4-11H2,1-3H3
InChIKeyVSPYGFQLLUGUNF-UHFFFAOYSA-N
MW354.49 g/mol
LogP0.08
Rot. Bonds8

About 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide (PubChem CID 113152388) has the molecular formula C13H26N2O5S2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
PubChem CID113152388
Molecular FormulaC13H26N2O5S2
Molecular Weight354.49 g/mol
Exact Mass354.13
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-4-7-14(8-5-2)13(16)10-15(21(3,17)18)12-6-9-22(19,20)11-12/h12H,4-11H2,1-3H3
InChIKeyVSPYGFQLLUGUNF-UHFFFAOYSA-N
XLogP0.08
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
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-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152337
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
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
2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide
CID 113147914
N-(1,1-dioxothiolan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113140500
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide (CID 113152388) is 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide?
The InChIKey is VSPYGFQLLUGUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S2/c1-4-7-14(8-5-2)13(16)10-15(21(3,17)18)12-6-9-22(19,20)11-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide?
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide has a molecular weight of 354.49 g/mol, XLogP of 0.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide is sourced from PubChem (CID 113152388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).