1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol

C10H23NO4S — CID 156568864

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
SMILESCSCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C10H23NO4S/c1-16-7-6-15-9-10(14)8-11(2-4-12)3-5-13/h10,12-14H,2-9H2,1H3
InChIKeyHJVPOXXOWJVBOZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP-0.99
Rot. Bonds11

About 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol (PubChem CID 156568864) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
PubChem CID156568864
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
SMILESCSCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C10H23NO4S/c1-16-7-6-15-9-10(14)8-11(2-4-12)3-5-13/h10,12-14H,2-9H2,1H3
InChIKeyHJVPOXXOWJVBOZ-UHFFFAOYSA-N
XLogP-0.99
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
1-[bis(2-hydroxyethyl)amino]-3-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
CID 129270703
1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 88894374
1-[bis(2-hydroxyethyl)amino]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol chloride
CID 53347350
1-[bis(2-hydroxyethyl)amino]-3-[2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[3-[bis(2-hydroxyethyl)amino]propoxymethyl]-3-propoxypropoxy]propan-2-ol
CID 129270890
1-[2-[ethyl(2-hydroxyethyl)amino]ethyl-hexylamino]-3-[2-(2-hexyldecoxy)ethylsulfanyl]propan-2-ol
CID 171073925
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
(2R)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 124853097

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol (CID 156568864) is 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol is CSCCOCC(O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol?
The InChIKey is HJVPOXXOWJVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-16-7-6-15-9-10(14)8-11(2-4-12)3-5-13/h10,12-14H,2-9H2,1H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol has a molecular weight of 253.36 g/mol, XLogP of -0.99, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol is sourced from PubChem (CID 156568864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).