N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide

C10H18N2O4S — CID 47412407

IUPACN-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O4S/c1-3-9(13)11-6-10(14)12(2)8-4-5-17(15,16)7-8/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyILGJTRNTJKLMKR-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.84
Rot. Bonds4

About N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide

N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide (PubChem CID 47412407) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
PubChem CID47412407
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O4S/c1-3-9(13)11-6-10(14)12(2)8-4-5-17(15,16)7-8/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyILGJTRNTJKLMKR-UHFFFAOYSA-N
XLogP-0.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-propan-2-ylpropanediamide
CID 108940820
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993811
2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65265770
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide (CID 47412407) is N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide?
The InChIKey is ILGJTRNTJKLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-9(13)11-6-10(14)12(2)8-4-5-17(15,16)7-8/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide?
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide has a molecular weight of 262.33 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 47412407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).