2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol

C15H24N2OS — CID 103914533

IUPAC2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
SMILESCCC(NCCN1CCSCC1)c1ccccc1O
InChIInChI=1S/C15H24N2OS/c1-2-14(13-5-3-4-6-15(13)18)16-7-8-17-9-11-19-12-10-17/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyQOHKJHVEZXWPDD-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol

2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol (PubChem CID 103914533) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
PubChem CID103914533
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
SMILESCCC(NCCN1CCSCC1)c1ccccc1O
InChIInChI=1S/C15H24N2OS/c1-2-14(13-5-3-4-6-15(13)18)16-7-8-17-9-11-19-12-10-17/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyQOHKJHVEZXWPDD-UHFFFAOYSA-N
XLogP2.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
CID 103783250
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol?
The IUPAC name of 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol (CID 103914533) is 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol?
The canonical SMILES for 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol is CCC(NCCN1CCSCC1)c1ccccc1O.
What is the InChIKey of 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol?
The InChIKey is QOHKJHVEZXWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-14(13-5-3-4-6-15(13)18)16-7-8-17-9-11-19-12-10-17/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol?
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol has a molecular weight of 280.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol is sourced from PubChem (CID 103914533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).