N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide

C12H24N2O4S — CID 115637928

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
SMILESCN(C(=O)CN(C)C(C)(C)CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-12(2,9-15)13(3)7-11(16)14(4)10-5-6-19(17,18)8-10/h10,15H,5-9H2,1-4H3
InChIKeyVZZWMVVUFCFSIA-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.67
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide (PubChem CID 115637928) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
PubChem CID115637928
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
SMILESCN(C(=O)CN(C)C(C)(C)CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-12(2,9-15)13(3)7-11(16)14(4)10-5-6-19(17,18)8-10/h10,15H,5-9H2,1-4H3
InChIKeyVZZWMVVUFCFSIA-UHFFFAOYSA-N
XLogP-0.67
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propyl)amino]-N-methylacetamide
CID 60691708
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 60691709
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607275
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65265770
N-(1,1-dioxothiolan-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)formamide
CID 102566535
N-(1,1-dioxothiolan-3-yl)-2-(2-hydroxyethoxy)-N-methylacetamide
CID 110678224
2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 61266565
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide (CID 115637928) is N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide is CN(C(=O)CN(C)C(C)(C)CO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is VZZWMVVUFCFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,9-15)13(3)7-11(16)14(4)10-5-6-19(17,18)8-10/h10,15H,5-9H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 292.40 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 115637928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).