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

C11H22N2O5S2 — CID 113152337

IUPACN-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S2/c1-4-9(2)12-11(14)7-13(19(3,15)16)10-5-6-20(17,18)8-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyWKSQSFHFRHIHQZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.65
Rot. Bonds6

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

N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113152337) has the molecular formula C11H22N2O5S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
PubChem CID113152337
Molecular FormulaC11H22N2O5S2
Molecular Weight326.44 g/mol
Exact Mass326.10
IUPAC NameN-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S2/c1-4-9(2)12-11(14)7-13(19(3,15)16)10-5-6-20(17,18)8-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyWKSQSFHFRHIHQZ-UHFFFAOYSA-N
XLogP-0.65
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403
2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
CID 61454198
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152413
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152434
ethyl 4-[methylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 113152648
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-butan-2-yl-N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)oxamide
CID 108505466
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide (CID 113152337) is N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide is CCC(C)NC(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is WKSQSFHFRHIHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S2/c1-4-9(2)12-11(14)7-13(19(3,15)16)10-5-6-20(17,18)8-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).