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

C9H21NOS — CID 106933404

IUPAC(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol
SMILESCCN(CC)CCSC[C@@H](C)O
InChIInChI=1S/C9H21NOS/c1-4-10(5-2)6-7-12-8-9(3)11/h9,11H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyVXQSDYCJEUZXBY-SECBINFHSA-N
MW191.34 g/mol
LogP1.44
Rot. Bonds7

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

(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol (PubChem CID 106933404) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol
PubChem CID106933404
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol
SMILESCCN(CC)CCSC[C@@H](C)O
InChIInChI=1S/C9H21NOS/c1-4-10(5-2)6-7-12-8-9(3)11/h9,11H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyVXQSDYCJEUZXBY-SECBINFHSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethylsulfanyl]ethane-1,1-diol
CID 134444307
3-[2-(diethylamino)ethylsulfanyl]-2-methylpropanoic acid
CID 64914311
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
1-[2-(diethylamino)ethylsulfanyl]-3-(2-methoxyethylamino)propan-2-ol
CID 113317899
4-(2-hydroxypropylsulfanyl)butan-1-ol
CID 141337745
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol
CID 19026831
N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
CID 154220966
1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol
CID 91170500
7-(diethylamino)heptan-2-ol
CID 168866586
(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
CID 79014025
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
1-(2-aminoethylsulfanyl)propan-2-ol;oxalic acid
CID 88837703

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol (CID 106933404) is (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol is CCN(CC)CCSC[C@@H](C)O.
What is the InChIKey of (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol?
The InChIKey is VXQSDYCJEUZXBY-SECBINFHSA-N. The full InChI is InChI=1S/C9H21NOS/c1-4-10(5-2)6-7-12-8-9(3)11/h9,11H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol?
(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol has a molecular weight of 191.34 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 106933404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).