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

C14H28N2OS — CID 62262141

IUPAC2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C14H28N2OS/c1-13(2)9-15-10-14(3-6-17-12-14)11-16-4-7-18-8-5-16/h13,15H,3-12H2,1-2H3
InChIKeyVQMPWPLFXDCGAX-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.69
Rot. Bonds6

About 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62262141) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62262141
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C14H28N2OS/c1-13(2)9-15-10-14(3-6-17-12-14)11-16-4-7-18-8-5-16/h13,15H,3-12H2,1-2H3
InChIKeyVQMPWPLFXDCGAX-UHFFFAOYSA-N
XLogP1.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55066378
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CID 55066379
CID 55066379
CID 62256663
CID 62256663
CID 62256664
CID 62256664
CID 62256839
CID 62256839
CID 62257008
CID 62257008
CID 62257009
CID 62257009
CID 62259566
CID 62259566
CID 62259736
CID 62259736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62262141) is 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CN2CCSCC2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is VQMPWPLFXDCGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-13(2)9-15-10-14(3-6-17-12-14)11-16-4-7-18-8-5-16/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 272.46 g/mol, XLogP of 1.69, 6 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-1-amine is sourced from PubChem (CID 62262141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).