3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol

C9H20N2O2S — CID 106325271

IUPAC3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
SMILESOCC(O)CNCCN1CCSCC1
InChIInChI=1S/C9H20N2O2S/c12-8-9(13)7-10-1-2-11-3-5-14-6-4-11/h9-10,12-13H,1-8H2
InChIKeyHDNLSNCCNUMCCE-UHFFFAOYSA-N
MW220.34 g/mol
LogP-1.02
Rot. Bonds6

About 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol

3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol (PubChem CID 106325271) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
PubChem CID106325271
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
SMILESOCC(O)CNCCN1CCSCC1
InChIInChI=1S/C9H20N2O2S/c12-8-9(13)7-10-1-2-11-3-5-14-6-4-11/h9-10,12-13H,1-8H2
InChIKeyHDNLSNCCNUMCCE-UHFFFAOYSA-N
XLogP-1.02
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 114173841
(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
CID 62991883
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720
1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325448
1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325500
3,3,3-trifluoro-2-[(2-thiomorpholin-4-ylethylamino)methyl]propanoic acid
CID 106325978
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242
3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
5-(2-thiomorpholin-4-ylethylamino)pentanenitrile
CID 106325106

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol?
The IUPAC name of 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol (CID 106325271) is 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol?
The canonical SMILES for 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol is OCC(O)CNCCN1CCSCC1.
What is the InChIKey of 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol?
The InChIKey is HDNLSNCCNUMCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c12-8-9(13)7-10-1-2-11-3-5-14-6-4-11/h9-10,12-13H,1-8H2.
What are the key properties of 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol?
3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol has a molecular weight of 220.34 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol is sourced from PubChem (CID 106325271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).