N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine

C10H19NO2S — CID 131097752

IUPACN-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine
SMILESCC1CC(NCC2CCOCO2)CS1
InChIInChI=1S/C10H19NO2S/c1-8-4-9(6-14-8)11-5-10-2-3-12-7-13-10/h8-11H,2-7H2,1H3
InChIKeySCSARWXJDZTVQQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.23
Rot. Bonds3

About N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine

N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine (PubChem CID 131097752) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine
PubChem CID131097752
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine
SMILESCC1CC(NCC2CCOCO2)CS1
InChIInChI=1S/C10H19NO2S/c1-8-4-9(6-14-8)11-5-10-2-3-12-7-13-10/h8-11H,2-7H2,1H3
InChIKeySCSARWXJDZTVQQ-UHFFFAOYSA-N
XLogP1.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine (CID 131097752) is N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine is CC1CC(NCC2CCOCO2)CS1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine?
The InChIKey is SCSARWXJDZTVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8-4-9(6-14-8)11-5-10-2-3-12-7-13-10/h8-11H,2-7H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine?
N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 131097752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).