2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide

C10H20N2O4S — CID 43086730

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c1-8(10(13)11-4-5-16-2)12-9-3-6-17(14,15)7-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyRGVUXHGRFFZIAY-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.09
Rot. Bonds6

About 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide

2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 43086730) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID43086730
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c1-8(10(13)11-4-5-16-2)12-9-3-6-17(14,15)7-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyRGVUXHGRFFZIAY-UHFFFAOYSA-N
XLogP-1.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869
methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
CID 115574010
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide (CID 43086730) is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RGVUXHGRFFZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(10(13)11-4-5-16-2)12-9-3-6-17(14,15)7-9/h8-9,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 264.35 g/mol, XLogP of -1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43086730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).