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

C11H22N2O3S — CID 76893547

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)C(N)C(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)9(12)10(14)13(4)8-5-6-17(15,16)7-8/h8-9H,5-7,12H2,1-4H3
InChIKeyMQVFTGOHKITSAM-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.01
Rot. Bonds2

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

2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide (PubChem CID 76893547) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
PubChem CID76893547
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)C(N)C(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)9(12)10(14)13(4)8-5-6-17(15,16)7-8/h8-9H,5-7,12H2,1-4H3
InChIKeyMQVFTGOHKITSAM-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 61266565
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride
CID 119670187
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
N-(1,1-dioxothiolan-3-yl)-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925217
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821840
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
2-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666510

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide (CID 76893547) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide is CN(C(=O)C(N)C(C)(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
The InChIKey is MQVFTGOHKITSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)9(12)10(14)13(4)8-5-6-17(15,16)7-8/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.01, 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,3,3-trimethylbutanamide is sourced from PubChem (CID 76893547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).