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

C11H22N2O3S — CID 43112784

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-13(5-2)11(14)9(3)12-10-6-7-17(15,16)8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyPGHNOEQKLOLCHZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds5

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

2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide (PubChem CID 43112784) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
PubChem CID43112784
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-13(5-2)11(14)9(3)12-10-6-7-17(15,16)8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyPGHNOEQKLOLCHZ-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
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
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
CID 43086730
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
CID 93281259
N-(5-methylheptan-3-yl)-1,1-dioxothiolan-3-amine
CID 43191011
1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 139000231
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide (CID 43112784) is 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide?
The InChIKey is PGHNOEQKLOLCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-13(5-2)11(14)9(3)12-10-6-7-17(15,16)8-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide has a molecular weight of 262.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 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,N-diethylpropanamide is sourced from PubChem (CID 43112784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).