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

C11H21NO2S — CID 106658875

IUPAC2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCC2CCCS2)CO1
InChIInChI=1S/C11H21NO2S/c1-11(2)13-7-9(8-14-11)12-6-10-4-3-5-15-10/h9-10,12H,3-8H2,1-2H3
InChIKeyVUSSRDVRAAUFMQ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.62
Rot. Bonds3

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

2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine (PubChem CID 106658875) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine
PubChem CID106658875
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCC2CCCS2)CO1
InChIInChI=1S/C11H21NO2S/c1-11(2)13-7-9(8-14-11)12-6-10-4-3-5-15-10/h9-10,12H,3-8H2,1-2H3
InChIKeyVUSSRDVRAAUFMQ-UHFFFAOYSA-N
XLogP1.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80583942
N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
4-tert-butyl-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 80584221
4-propan-2-yl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80585023
N-(thian-2-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80600127
2-propan-2-yl-N-(thiolan-2-ylmethyl)oxan-4-amine
CID 80584057
N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80584129
2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine
CID 131081567
N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658581
tert-butyl N-[4-(thiolan-2-ylmethylamino)cyclohexyl]carbamate
CID 80583721
4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one
CID 130618861
tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate
CID 80584361

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine (CID 106658875) is 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine is CC1(C)OCC(NCC2CCCS2)CO1.
What is the InChIKey of 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine?
The InChIKey is VUSSRDVRAAUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(2)13-7-9(8-14-11)12-6-10-4-3-5-15-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine has a molecular weight of 231.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).