2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine

C14H28N2OS — CID 55052056

IUPAC2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C14H28N2OS/c1-13(2,3)15-10-14(4-7-17-12-14)11-16-5-8-18-9-6-16/h15H,4-12H2,1-3H3
InChIKeyOOFJYXBMQXPIEA-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55052056) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID55052056
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C14H28N2OS/c1-13(2,3)15-10-14(4-7-17-12-14)11-16-5-8-18-9-6-16/h15H,4-12H2,1-3H3
InChIKeyOOFJYXBMQXPIEA-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine (CID 55052056) is 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1(CN2CCSCC2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is OOFJYXBMQXPIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-13(2,3)15-10-14(4-7-17-12-14)11-16-5-8-18-9-6-16/h15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 272.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55052056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).