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

C9H18N2O3S — CID 43085824

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-10-9(12)7(2)11-8-4-5-15(13,14)6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyCJXJYFGGVRVHAO-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.71
Rot. Bonds4

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

2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide (PubChem CID 43085824) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
PubChem CID43085824
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-10-9(12)7(2)11-8-4-5-15(13,14)6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyCJXJYFGGVRVHAO-UHFFFAOYSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
CID 43086730
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
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
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
CID 93281259
N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832
2-[(1,1-dioxothiolan-3-yl)amino]-3-hydroxypropanoic acid
CID 4263871

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide (CID 43085824) is 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide?
The InChIKey is CJXJYFGGVRVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-10-9(12)7(2)11-8-4-5-15(13,14)6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide has a molecular weight of 234.32 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 43085824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).