2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine

C15H30N2OS — CID 55066379

IUPAC2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCSCC2)CCOCC1
InChIInChI=1S/C15H30N2OS/c1-14(2)11-16-12-15(3-7-18-8-4-15)13-17-5-9-19-10-6-17/h14,16H,3-13H2,1-2H3
InChIKeyROFOHLSDVQERTL-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.08
Rot. Bonds6

About 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine

2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (PubChem CID 55066379) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
PubChem CID55066379
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCSCC2)CCOCC1
InChIInChI=1S/C15H30N2OS/c1-14(2)11-16-12-15(3-7-18-8-4-15)13-17-5-9-19-10-6-17/h14,16H,3-13H2,1-2H3
InChIKeyROFOHLSDVQERTL-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 55066378
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62261951
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62261952
2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62262141
[4-(Thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine
CID 62390239
N-methyl-1-[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine
CID 62390240
1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62390256
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390804
N-[[4-(1,4-thiazepan-4-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62390826
N-[[4-(1,4-thiazepan-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62390827
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62390977

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (CID 55066379) is 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is CC(C)CNCC1(CN2CCSCC2)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The InChIKey is ROFOHLSDVQERTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-14(2)11-16-12-15(3-7-18-8-4-15)13-17-5-9-19-10-6-17/h14,16H,3-13H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine has a molecular weight of 286.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55066379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).