2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine

C12H24N2O2S — CID 114173755

IUPAC2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCN2CCSCC2)CO1
InChIInChI=1S/C12H24N2O2S/c1-12(2)15-9-11(10-16-12)13-3-4-14-5-7-17-8-6-14/h11,13H,3-10H2,1-2H3
InChIKeyANHSAIDQIAHHSA-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.78
Rot. Bonds4

About 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine (PubChem CID 114173755) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine
PubChem CID114173755
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCN2CCSCC2)CO1
InChIInChI=1S/C12H24N2O2S/c1-12(2)15-9-11(10-16-12)13-3-4-14-5-7-17-8-6-14/h11,13H,3-10H2,1-2H3
InChIKeyANHSAIDQIAHHSA-UHFFFAOYSA-N
XLogP0.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine
CID 115719262
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine (CID 114173755) is 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine is CC1(C)OCC(NCCN2CCSCC2)CO1.
What is the InChIKey of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine?
The InChIKey is ANHSAIDQIAHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2)15-9-11(10-16-12)13-3-4-14-5-7-17-8-6-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine has a molecular weight of 260.40 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 114173755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).