3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine

C10H20N2OS — CID 64893432

IUPAC3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine
SMILESCN(CC1(N)CCOC1)C1CCSC1
InChIInChI=1S/C10H20N2OS/c1-12(9-2-5-14-6-9)7-10(11)3-4-13-8-10/h9H,2-8,11H2,1H3
InChIKeyDJKVVLGSQXSFGJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.54
Rot. Bonds3

About 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine

3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine (PubChem CID 64893432) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine
PubChem CID64893432
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine
SMILESCN(CC1(N)CCOC1)C1CCSC1
InChIInChI=1S/C10H20N2OS/c1-12(9-2-5-14-6-9)7-10(11)3-4-13-8-10/h9H,2-8,11H2,1H3
InChIKeyDJKVVLGSQXSFGJ-UHFFFAOYSA-N
XLogP0.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine (CID 64893432) is 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine is CN(CC1(N)CCOC1)C1CCSC1.
What is the InChIKey of 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine?
The InChIKey is DJKVVLGSQXSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12(9-2-5-14-6-9)7-10(11)3-4-13-8-10/h9H,2-8,11H2,1H3.
What are the key properties of 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine?
3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine has a molecular weight of 216.35 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiolan-3-yl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).