3-[3-(dimethylamino)propylsulfanyl]propan-1-ol

C8H19NOS — CID 114525966

IUPAC3-[3-(dimethylamino)propylsulfanyl]propan-1-ol
SMILESCN(C)CCCSCCCO
InChIInChI=1S/C8H19NOS/c1-9(2)5-3-7-11-8-4-6-10/h10H,3-8H2,1-2H3
InChIKeyNDTUDXAFVLCVPA-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.05
Rot. Bonds7

About 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol

3-[3-(dimethylamino)propylsulfanyl]propan-1-ol (PubChem CID 114525966) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylsulfanyl]propan-1-ol
PubChem CID114525966
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name3-[3-(dimethylamino)propylsulfanyl]propan-1-ol
SMILESCN(C)CCCSCCCO
InChIInChI=1S/C8H19NOS/c1-9(2)5-3-7-11-8-4-6-10/h10H,3-8H2,1-2H3
InChIKeyNDTUDXAFVLCVPA-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol (CID 114525966) is 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol is CN(C)CCCSCCCO.
What is the InChIKey of 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol?
The InChIKey is NDTUDXAFVLCVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-9(2)5-3-7-11-8-4-6-10/h10H,3-8H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol?
3-[3-(dimethylamino)propylsulfanyl]propan-1-ol has a molecular weight of 177.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylsulfanyl]propan-1-ol is sourced from PubChem (CID 114525966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).