3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol

C10H23NO3S2 — CID 106310342

IUPAC3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
SMILESCCCS(=O)(=O)CCNCCSCCCO
InChIInChI=1S/C10H23NO3S2/c1-2-9-16(13,14)10-5-11-4-8-15-7-3-6-12/h11-12H,2-10H2,1H3
InChIKeyTYFUOOGDBRDGMW-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.52
Rot. Bonds11

About 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol

3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106310342) has the molecular formula C10H23NO3S2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
PubChem CID106310342
Molecular FormulaC10H23NO3S2
Molecular Weight269.43 g/mol
Exact Mass269.11
IUPAC Name3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
SMILESCCCS(=O)(=O)CCNCCSCCCO
InChIInChI=1S/C10H23NO3S2/c1-2-9-16(13,14)10-5-11-4-8-15-7-3-6-12/h11-12H,2-10H2,1H3
InChIKeyTYFUOOGDBRDGMW-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-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

2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723762
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
6-methylsulfanyl-N-(2-propylsulfonylethyl)hexan-1-amine
CID 114125695
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
CID 103578586
3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
2-butylsulfanyl-N-(2-butylsulfanylethyl)ethanamine;oxalic acid
CID 46786043
N-[2-(2-propylsulfonylethylamino)ethyl]acetamide
CID 106723232
tert-butyl N-[3-[2-(3-hydroxypropylsulfanyl)ethylamino]propyl]carbamate
CID 107094834

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol (CID 106310342) is 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol is CCCS(=O)(=O)CCNCCSCCCO.
What is the InChIKey of 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is TYFUOOGDBRDGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S2/c1-2-9-16(13,14)10-5-11-4-8-15-7-3-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol?
3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106310342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).