1-(1-phenylsulfanylpropylamino)ethanol

C11H17NOS — CID 23342184

IUPAC1-(1-phenylsulfanylpropylamino)ethanol
SMILESCCC(NC(C)O)Sc1ccccc1
InChIInChI=1S/C11H17NOS/c1-3-11(12-9(2)13)14-10-7-5-4-6-8-10/h4-9,11-13H,3H2,1-2H3
InChIKeyUVMKSBSPYNFQDV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-phenylsulfanylpropylamino)ethanol

1-(1-phenylsulfanylpropylamino)ethanol (PubChem CID 23342184) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(1-phenylsulfanylpropylamino)ethanol.

Molecular Properties

Compound Name1-(1-phenylsulfanylpropylamino)ethanol
PubChem CID23342184
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(1-phenylsulfanylpropylamino)ethanol
SMILESCCC(NC(C)O)Sc1ccccc1
InChIInChI=1S/C11H17NOS/c1-3-11(12-9(2)13)14-10-7-5-4-6-8-10/h4-9,11-13H,3H2,1-2H3
InChIKeyUVMKSBSPYNFQDV-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
(E,2R,5R)-5-phenylsulfanylhept-3-en-2-ol
CID 11470099
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2S)-2-(2-phenylsulfanylbutanoylamino)propanoic acid
CID 119942887
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
5-phenylsulfanylhexan-3-one
CID 11275800
2-ethoxy-1-phenylsulfanylethanol
CID 71398646
3-hydroxy-4-phenylsulfanylpentanoic acid
CID 142656937
ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
1-phenyl-3,3-bis(phenylsulfanyl)propan-1-ol
CID 11291133

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylpropylamino)ethanol?
The IUPAC name of 1-(1-phenylsulfanylpropylamino)ethanol (CID 23342184) is 1-(1-phenylsulfanylpropylamino)ethanol.
What is the SMILES notation for 1-(1-phenylsulfanylpropylamino)ethanol?
The canonical SMILES for 1-(1-phenylsulfanylpropylamino)ethanol is CCC(NC(C)O)Sc1ccccc1.
What is the InChIKey of 1-(1-phenylsulfanylpropylamino)ethanol?
The InChIKey is UVMKSBSPYNFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-11(12-9(2)13)14-10-7-5-4-6-8-10/h4-9,11-13H,3H2,1-2H3.
What are the key properties of 1-(1-phenylsulfanylpropylamino)ethanol?
1-(1-phenylsulfanylpropylamino)ethanol has a molecular weight of 211.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylpropylamino)ethanol is sourced from PubChem (CID 23342184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).