N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide

C13H26N2O5S2 — CID 113153415

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
SMILESCCCCCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-4-5-6-8-15(21(3,17)18)10-13(16)14(2)12-7-9-22(19,20)11-12/h12H,4-11H2,1-3H3
InChIKeyUEMBABNBFHOODR-UHFFFAOYSA-N
MW354.49 g/mol
LogP0.08
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide (PubChem CID 113153415) has the molecular formula C13H26N2O5S2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
PubChem CID113153415
Molecular FormulaC13H26N2O5S2
Molecular Weight354.49 g/mol
Exact Mass354.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
SMILESCCCCCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-4-5-6-8-15(21(3,17)18)10-13(16)14(2)12-7-9-22(19,20)11-12/h12H,4-11H2,1-3H3
InChIKeyUEMBABNBFHOODR-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

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147502
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136861
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149470
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methylacetamide
CID 113151002
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propyl)amino]-N-methylacetamide
CID 60691708
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
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-(N-methylsulfonylanilino)acetamide
CID 113153644
N',N'-dibutyl-N-(1,1-dioxothiolan-3-yl)-N-methyloxamide
CID 108524532

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide (CID 113153415) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide is CCCCCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide?
The InChIKey is UEMBABNBFHOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S2/c1-4-5-6-8-15(21(3,17)18)10-13(16)14(2)12-7-9-22(19,20)11-12/h12H,4-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide 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 N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide is sourced from PubChem (CID 113153415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).