(3-thiomorpholin-4-yloxolan-3-yl)methanamine

C9H18N2OS — CID 63335224

IUPAC(3-thiomorpholin-4-yloxolan-3-yl)methanamine
SMILESNCC1(N2CCSCC2)CCOC1
InChIInChI=1S/C9H18N2OS/c10-7-9(1-4-12-8-9)11-2-5-13-6-3-11/h1-8,10H2
InChIKeyPCPHAYKDBMSHTB-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.15
Rot. Bonds2

About (3-thiomorpholin-4-yloxolan-3-yl)methanamine

(3-thiomorpholin-4-yloxolan-3-yl)methanamine (PubChem CID 63335224) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (3-thiomorpholin-4-yloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-thiomorpholin-4-yloxolan-3-yl)methanamine
PubChem CID63335224
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(3-thiomorpholin-4-yloxolan-3-yl)methanamine
SMILESNCC1(N2CCSCC2)CCOC1
InChIInChI=1S/C9H18N2OS/c10-7-9(1-4-12-8-9)11-2-5-13-6-3-11/h1-8,10H2
InChIKeyPCPHAYKDBMSHTB-UHFFFAOYSA-N
XLogP0.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-thiomorpholin-4-yloxolan-3-yl)methanamine?
The IUPAC name of (3-thiomorpholin-4-yloxolan-3-yl)methanamine (CID 63335224) is (3-thiomorpholin-4-yloxolan-3-yl)methanamine.
What is the SMILES notation for (3-thiomorpholin-4-yloxolan-3-yl)methanamine?
The canonical SMILES for (3-thiomorpholin-4-yloxolan-3-yl)methanamine is NCC1(N2CCSCC2)CCOC1.
What is the InChIKey of (3-thiomorpholin-4-yloxolan-3-yl)methanamine?
The InChIKey is PCPHAYKDBMSHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-7-9(1-4-12-8-9)11-2-5-13-6-3-11/h1-8,10H2.
What are the key properties of (3-thiomorpholin-4-yloxolan-3-yl)methanamine?
(3-thiomorpholin-4-yloxolan-3-yl)methanamine has a molecular weight of 202.32 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiomorpholin-4-yloxolan-3-yl)methanamine is sourced from PubChem (CID 63335224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).