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

C13H26N2O6S2 — CID 113149470

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCCN(C(=O)CN(CCCOC)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O6S2/c1-4-15(12-6-9-23(19,20)11-12)13(16)10-14(22(3,17)18)7-5-8-21-2/h12H,4-11H2,1-3H3
InChIKeyKJHFRQYSFPMEBA-UHFFFAOYSA-N
MW370.49 g/mol
LogP-0.68
Rot. Bonds9

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 113149470) has the molecular formula C13H26N2O6S2 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID113149470
Molecular FormulaC13H26N2O6S2
Molecular Weight370.49 g/mol
Exact Mass370.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCCN(C(=O)CN(CCCOC)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O6S2/c1-4-15(12-6-9-23(19,20)11-12)13(16)10-14(22(3,17)18)7-5-8-21-2/h12H,4-11H2,1-3H3
InChIKeyKJHFRQYSFPMEBA-UHFFFAOYSA-N
XLogP-0.68
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
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-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149462
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147502
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62016380
methyl 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-4-oxobutanoate
CID 110755941
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
N-(1,1-dioxothiolan-3-yl)-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149272
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 113149470) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is CCN(C(=O)CN(CCCOC)S(C)(=O)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is KJHFRQYSFPMEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O6S2/c1-4-15(12-6-9-23(19,20)11-12)13(16)10-14(22(3,17)18)7-5-8-21-2/h12H,4-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 370.49 g/mol, XLogP of -0.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).