N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C13H26N2OS — CID 62261952

IUPACN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C13H26N2OS/c1-2-4-14-10-13(3-7-16-12-13)11-15-5-8-17-9-6-15/h14H,2-12H2,1H3
InChIKeyJMFNBLUFSFMSDY-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.44
Rot. Bonds6

About N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62261952) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62261952
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C13H26N2OS/c1-2-4-14-10-13(3-7-16-12-13)11-15-5-8-17-9-6-15/h14H,2-12H2,1H3
InChIKeyJMFNBLUFSFMSDY-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62261952) is N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCSCC2)CCOC1.
What is the InChIKey of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is JMFNBLUFSFMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-2-4-14-10-13(3-7-16-12-13)11-15-5-8-17-9-6-15/h14H,2-12H2,1H3.
What are the key properties of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 258.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62261952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).