2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine

C10H21NO3S — CID 106659028

IUPAC2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
SMILESCS(=O)CCCNC1COC(C)(C)OC1
InChIInChI=1S/C10H21NO3S/c1-10(2)13-7-9(8-14-10)11-5-4-6-15(3)12/h9,11H,4-8H2,1-3H3
InChIKeyYORWGJIRUDWGFN-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.50
Rot. Bonds5

About 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine (PubChem CID 106659028) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
PubChem CID106659028
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
SMILESCS(=O)CCCNC1COC(C)(C)OC1
InChIInChI=1S/C10H21NO3S/c1-10(2)13-7-9(8-14-10)11-5-4-6-15(3)12/h9,11H,4-8H2,1-3H3
InChIKeyYORWGJIRUDWGFN-UHFFFAOYSA-N
XLogP0.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfinylpropyl)oxan-4-amine
CID 115654136
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058
N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
CID 114817921
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
CID 106658151
2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol
CID 106309374
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-methylpropanamide
CID 106658723
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
CID 106662803
N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658581

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine (CID 106659028) is 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine is CS(=O)CCCNC1COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine?
The InChIKey is YORWGJIRUDWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2)13-7-9(8-14-10)11-5-4-6-15(3)12/h9,11H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine has a molecular weight of 235.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106659028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).