N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

C13H22N2O3S — CID 104522616

IUPACN-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(C2CCCCS2(=O)=O)o1
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)15-9-12-14-8-10(18-12)11-6-4-5-7-19(11,16)17/h8,11,15H,4-7,9H2,1-3H3
InChIKeyQMEWBQNXZLOPRS-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.20
Rot. Bonds3

About N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104522616) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID104522616
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(C2CCCCS2(=O)=O)o1
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)15-9-12-14-8-10(18-12)11-6-4-5-7-19(11,16)17/h8,11,15H,4-7,9H2,1-3H3
InChIKeyQMEWBQNXZLOPRS-UHFFFAOYSA-N
XLogP2.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 113422528
N-[2-[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 104522627
2-[2-(3-chloropropyl)-1,3-oxazol-5-yl]thiane 1,1-dioxide
CID 104522599
N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183874
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086201
[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol
CID 115090603
3-[2-(1,1-dioxothian-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115085926
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107185149
N-[[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 64904807
2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184076
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 104522616) is N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncc(C2CCCCS2(=O)=O)o1.
What is the InChIKey of N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QMEWBQNXZLOPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,3)15-9-12-14-8-10(18-12)11-6-4-5-7-19(11,16)17/h8,11,15H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 286.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104522616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).