2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide

C9H18N2O3S — CID 61266565

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)N)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-9(2,10)8(12)11(3)7-4-5-15(13,14)6-7/h7H,4-6,10H2,1-3H3
InChIKeyLCRZJZHCKXLXAB-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds2

About 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide

2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide (PubChem CID 61266565) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
PubChem CID61266565
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)N)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-9(2,10)8(12)11(3)7-4-5-15(13,14)6-7/h7H,4-6,10H2,1-3H3
InChIKeyLCRZJZHCKXLXAB-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821840
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61265369
1-(1,1-dioxothiolan-3-yl)-2-hydroxy-1-methylguanidine
CID 62481876
N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-N'-(4-methylphenyl)propanediamide
CID 108964735

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide (CID 61266565) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)N)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide?
The InChIKey is LCRZJZHCKXLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,10)8(12)11(3)7-4-5-15(13,14)6-7/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide has a molecular weight of 234.32 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 61266565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).