1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol

C11H26N2OS — CID 57243943

IUPAC1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol
SMILESCCN(CC)CC(O)CSCCN(C)C
InChIInChI=1S/C11H26N2OS/c1-5-13(6-2)9-11(14)10-15-8-7-12(3)4/h11,14H,5-10H2,1-4H3
InChIKeyFSNPMTCLCAICIX-UHFFFAOYSA-N
MW234.41 g/mol
LogP0.98
Rot. Bonds9

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

1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol (PubChem CID 57243943) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol
PubChem CID57243943
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC Name1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol
SMILESCCN(CC)CC(O)CSCCN(C)C
InChIInChI=1S/C11H26N2OS/c1-5-13(6-2)9-11(14)10-15-8-7-12(3)4/h11,14H,5-10H2,1-4H3
InChIKeyFSNPMTCLCAICIX-UHFFFAOYSA-N
XLogP0.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
1-(Diethylamino)-3-(pentylsulfanyl)propan-2-ol--hydrogen chloride (1/1)
CID 3040150
2-Propanol, 1-(dibutylamino)-3-((1-methylethyl)thio)-, hydrochloride
CID 3040152
1-(2,2-Dimethylthiomorpholin-4-yl)propan-2-ol
CID 116406132
3-(Diethylamino)-2-hydroxypropyl diethylcarbamodithioate
CID 129845273
1-(Diethylamino)-3-pentylsulfanylpropan-2-ol
CID 3040151
1-(Dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
CID 3040153
(2S)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 100751375
(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 100751382
2-[3-Ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103865021
2-[2,2-Difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol
CID 107485382
1,1,1-Trifluoro-3-[methyl-[2-(2-methylpropylsulfanyl)ethyl]amino]propan-2-ol
CID 109967782

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol (CID 57243943) is 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol is CCN(CC)CC(O)CSCCN(C)C.
What is the InChIKey of 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol?
The InChIKey is FSNPMTCLCAICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2OS/c1-5-13(6-2)9-11(14)10-15-8-7-12(3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol?
1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol has a molecular weight of 234.41 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 57243943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).