(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine

C10H20N2OS — CID 124526824

IUPAC(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine
SMILESCN1CCO[C@@H](CN[C@H]2CCSC2)C1
InChIInChI=1S/C10H20N2OS/c1-12-3-4-13-10(7-12)6-11-9-2-5-14-8-9/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyKHWSNVRPSCFLKO-UWVGGRQHSA-N
MW216.35 g/mol
LogP0.41
Rot. Bonds3

About (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine

(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine (PubChem CID 124526824) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine
PubChem CID124526824
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine
SMILESCN1CCO[C@@H](CN[C@H]2CCSC2)C1
InChIInChI=1S/C10H20N2OS/c1-12-3-4-13-10(7-12)6-11-9-2-5-14-8-9/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyKHWSNVRPSCFLKO-UWVGGRQHSA-N
XLogP0.41
TPSA24.50 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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine?
The IUPAC name of (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine (CID 124526824) is (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine.
What is the SMILES notation for (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine?
The canonical SMILES for (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine is CN1CCO[C@@H](CN[C@H]2CCSC2)C1.
What is the InChIKey of (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine?
The InChIKey is KHWSNVRPSCFLKO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12-3-4-13-10(7-12)6-11-9-2-5-14-8-9/h9-11H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine?
(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine has a molecular weight of 216.35 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 124526824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).