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

C11H22N2O6S2 — CID 113149462

IUPACN-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)NC1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-19-6-3-5-13(20(2,15)16)8-11(14)12-10-4-7-21(17,18)9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyNDFNCJODMLQCJX-UHFFFAOYSA-N
MW342.44 g/mol
LogP-1.41
Rot. Bonds8

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

N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 113149462) has the molecular formula C11H22N2O6S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID113149462
Molecular FormulaC11H22N2O6S2
Molecular Weight342.44 g/mol
Exact Mass342.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)NC1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-19-6-3-5-13(20(2,15)16)8-11(14)12-10-4-7-21(17,18)9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyNDFNCJODMLQCJX-UHFFFAOYSA-N
XLogP-1.41
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149272
3-[acetyl(3-methoxypropyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113117111
3-[butyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113136680
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149470
N-(1,1-dioxothiolan-3-yl)-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111652236
N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137971
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838279
N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155273
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide
CID 51097200
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507065
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18274802

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 113149462) is N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is COCCCN(CC(=O)NC1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is NDFNCJODMLQCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S2/c1-19-6-3-5-13(20(2,15)16)8-11(14)12-10-4-7-21(17,18)9-10/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 342.44 g/mol, XLogP of -1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).