1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine

C10H21NO2S — CID 66953648

IUPAC1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine
SMILESCNCC1COC(C)(C)OC1CSC
InChIInChI=1S/C10H21NO2S/c1-10(2)12-6-8(5-11-3)9(13-10)7-14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyMJQRZGIFQSULTR-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds4

About 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine

1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine (PubChem CID 66953648) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine
PubChem CID66953648
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine
SMILESCNCC1COC(C)(C)OC1CSC
InChIInChI=1S/C10H21NO2S/c1-10(2)12-6-8(5-11-3)9(13-10)7-14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyMJQRZGIFQSULTR-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine (CID 66953648) is 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine is CNCC1COC(C)(C)OC1CSC.
What is the InChIKey of 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine?
The InChIKey is MJQRZGIFQSULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2)12-6-8(5-11-3)9(13-10)7-14-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine?
1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine is sourced from PubChem (CID 66953648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).