1-ethylsulfanyl-3-(propylamino)propan-2-ol

C8H19NOS — CID 43166422

IUPAC1-ethylsulfanyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CSCC
InChIInChI=1S/C8H19NOS/c1-3-5-9-6-8(10)7-11-4-2/h8-10H,3-7H2,1-2H3
InChIKeyWULWTCXYRQHWSZ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.10
Rot. Bonds7

About 1-ethylsulfanyl-3-(propylamino)propan-2-ol

1-ethylsulfanyl-3-(propylamino)propan-2-ol (PubChem CID 43166422) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(propylamino)propan-2-ol
PubChem CID43166422
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-ethylsulfanyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CSCC
InChIInChI=1S/C8H19NOS/c1-3-5-9-6-8(10)7-11-4-2/h8-10H,3-7H2,1-2H3
InChIKeyWULWTCXYRQHWSZ-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethylsulfanyl-3-(propylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-(propylamino)propan-2-ol
CID 55301925
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-(propylamino)hexadecan-2-ol
CID 88695975
6-(propylamino)hexane-1,2,4,5-tetrol
CID 123530064
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
CID 61385188
1-tert-butylsulfinyl-3-(propylamino)propan-2-ol
CID 115476964
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-(propylamino)propan-2-ol (CID 43166422) is 1-ethylsulfanyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-(propylamino)propan-2-ol is CCCNCC(O)CSCC.
What is the InChIKey of 1-ethylsulfanyl-3-(propylamino)propan-2-ol?
The InChIKey is WULWTCXYRQHWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-5-9-6-8(10)7-11-4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-(propylamino)propan-2-ol?
1-ethylsulfanyl-3-(propylamino)propan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43166422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).