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

C10H19NO2S — CID 104585321

IUPAC2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCSC2)CO1
InChIInChI=1S/C10H19NO2S/c1-10(2)12-5-9(6-13-10)11-8-3-4-14-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyCKUUIBLLHUEPNC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.23
Rot. Bonds2

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

2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine (PubChem CID 104585321) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine
PubChem CID104585321
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCSC2)CO1
InChIInChI=1S/C10H19NO2S/c1-10(2)12-5-9(6-13-10)11-8-3-4-14-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyCKUUIBLLHUEPNC-UHFFFAOYSA-N
XLogP1.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
CID 113429645
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585245
4-chloro-N-(thiolan-3-yl)oxolan-3-amine
CID 164656487
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine
CID 106658207
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-(3-fluorocyclopentyl)thiolan-3-amine
CID 130614619
N-(3,3-dimethylcyclobutyl)thian-4-amine
CID 115021835
2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
CID 104585329
N-(4-butylcyclohexyl)thiolan-3-amine
CID 115713977
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine (CID 104585321) is 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine is CC1(C)OCC(NC2CCSC2)CO1.
What is the InChIKey of 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine?
The InChIKey is CKUUIBLLHUEPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2)12-5-9(6-13-10)11-8-3-4-14-7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine has a molecular weight of 217.33 g/mol, XLogP of 1.23, 2 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-3-yl)-1,3-dioxan-5-amine is sourced from PubChem (CID 104585321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).