(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol

C15H25NOS — CID 113359142

IUPAC(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1SCCN(CC)CC
InChIInChI=1S/C15H25NOS/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3/h7-10,14,17H,4-6,11-12H2,1-3H3/t14-/m1/s1
InChIKeyVAEQACIOHKCQSR-CQSZACIVSA-N
MW267.44 g/mol
LogP3.56
Rot. Bonds8

About (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol

(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol (PubChem CID 113359142) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
PubChem CID113359142
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1SCCN(CC)CC
InChIInChI=1S/C15H25NOS/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3/h7-10,14,17H,4-6,11-12H2,1-3H3/t14-/m1/s1
InChIKeyVAEQACIOHKCQSR-CQSZACIVSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine
CID 112678701
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688
3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
CID 103960852
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234847
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
CID 79014025
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol (CID 113359142) is (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1SCCN(CC)CC.
What is the InChIKey of (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol?
The InChIKey is VAEQACIOHKCQSR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3/h7-10,14,17H,4-6,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol?
(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol is sourced from PubChem (CID 113359142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).