(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol

C11H25NOS — CID 90427479

IUPAC(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol
SMILESCCN(CC)CCC[C@@H](CO)CCS
InChIInChI=1S/C11H25NOS/c1-3-12(4-2)8-5-6-11(10-13)7-9-14/h11,13-14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGSUSZCNTIGDWRS-LLVKDONJSA-N
MW219.39 g/mol
LogP2.04
Rot. Bonds9

About (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol

(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol (PubChem CID 90427479) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol.

Molecular Properties

Compound Name(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol
PubChem CID90427479
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol
SMILESCCN(CC)CCC[C@@H](CO)CCS
InChIInChI=1S/C11H25NOS/c1-3-12(4-2)8-5-6-11(10-13)7-9-14/h11,13-14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGSUSZCNTIGDWRS-LLVKDONJSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol?
The IUPAC name of (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol (CID 90427479) is (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol.
What is the SMILES notation for (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol?
The canonical SMILES for (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol is CCN(CC)CCC[C@@H](CO)CCS.
What is the InChIKey of (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol?
The InChIKey is GSUSZCNTIGDWRS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25NOS/c1-3-12(4-2)8-5-6-11(10-13)7-9-14/h11,13-14H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol?
(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol is sourced from PubChem (CID 90427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).