4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol

C13H28N2O3S — CID 102995842

IUPAC4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
SMILESCCN(CC)CCCN(CC)C1CS(=O)(=O)CC1O
InChIInChI=1S/C13H28N2O3S/c1-4-14(5-2)8-7-9-15(6-3)12-10-19(17,18)11-13(12)16/h12-13,16H,4-11H2,1-3H3
InChIKeyUIAKBNUHJSHNBC-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.20
Rot. Bonds8

About 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol

4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol (PubChem CID 102995842) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
PubChem CID102995842
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
SMILESCCN(CC)CCCN(CC)C1CS(=O)(=O)CC1O
InChIInChI=1S/C13H28N2O3S/c1-4-14(5-2)8-7-9-15(6-3)12-10-19(17,18)11-13(12)16/h12-13,16H,4-11H2,1-3H3
InChIKeyUIAKBNUHJSHNBC-UHFFFAOYSA-N
XLogP0.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 130683656
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol
CID 102996342
4-[ethyl(piperidin-4-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 79717139
4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol
CID 60665955
4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 60665734
(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol
CID 126846815
N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 133129408
(3S,4S)-4-(N-ethylanilino)-1,1-dioxothiolan-3-ol
CID 126846713
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
CID 99976614
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 102566397

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol (CID 102995842) is 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol is CCN(CC)CCCN(CC)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol?
The InChIKey is UIAKBNUHJSHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-14(5-2)8-7-9-15(6-3)12-10-19(17,18)11-13(12)16/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol?
4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol has a molecular weight of 292.44 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 102995842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).