2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol

C11H25NOS — CID 66181303

IUPAC2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
SMILESCSCCCNCC(C)(O)CC(C)C
InChIInChI=1S/C11H25NOS/c1-10(2)8-11(3,13)9-12-6-5-7-14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyPJDSBONIOAVVFK-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.13
Rot. Bonds8

About 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol

2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol (PubChem CID 66181303) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
PubChem CID66181303
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
SMILESCSCCCNCC(C)(O)CC(C)C
InChIInChI=1S/C11H25NOS/c1-10(2)8-11(3,13)9-12-6-5-7-14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyPJDSBONIOAVVFK-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol (CID 66181303) is 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol is CSCCCNCC(C)(O)CC(C)C.
What is the InChIKey of 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
The InChIKey is PJDSBONIOAVVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(2)8-11(3,13)9-12-6-5-7-14-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methylsulfanylpropylamino)pentan-2-ol is sourced from PubChem (CID 66181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).