2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol

C12H18N2OS — CID 87683185

IUPAC2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol
SMILESNC(CS)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H18N2OS/c13-12(9-16)10-1-3-11(4-2-10)14-5-7-15-8-6-14/h1-4,12,16H,5-9,13H2
InChIKeyQWZJNYIJFKKJFK-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol

2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol (PubChem CID 87683185) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol.

Molecular Properties

Compound Name2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol
PubChem CID87683185
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol
SMILESNC(CS)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H18N2OS/c13-12(9-16)10-1-3-11(4-2-10)14-5-7-15-8-6-14/h1-4,12,16H,5-9,13H2
InChIKeyQWZJNYIJFKKJFK-UHFFFAOYSA-N
XLogP1.45
TPSA38.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-(4-morpholin-4-ylphenyl)butan-2-amine
CID 23009589
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1,5-dibromo-1,5-bis(4-morpholin-4-ylphenyl)pentan-3-one
CID 174721733
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol?
The IUPAC name of 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol (CID 87683185) is 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol.
What is the SMILES notation for 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol?
The canonical SMILES for 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol is NC(CS)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol?
The InChIKey is QWZJNYIJFKKJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-12(9-16)10-1-3-11(4-2-10)14-5-7-15-8-6-14/h1-4,12,16H,5-9,13H2.
What are the key properties of 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol?
2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol has a molecular weight of 238.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol is sourced from PubChem (CID 87683185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).