(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol

C8H17NO3S — CID 130683656

IUPAC(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
SMILESCCN(CC)C1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C8H17NO3S/c1-3-9(4-2)7-5-13(11,12)6-8(7)10/h7-8,10H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyQAOGCKMYQLALKG-BRFYHDHCSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds3

About (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol

(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol (PubChem CID 130683656) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
PubChem CID130683656
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
SMILESCCN(CC)C1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C8H17NO3S/c1-3-9(4-2)7-5-13(11,12)6-8(7)10/h7-8,10H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyQAOGCKMYQLALKG-BRFYHDHCSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
CID 102995842
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
4-[ethyl(piperidin-4-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 79717139
N-ethyl-N-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]formamide
CID 99977195
4-[bis(3-methylbutyl)amino]-1,1-dioxothiolan-3-ol
CID 103603363
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
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
4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
CID 63964217

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol (CID 130683656) is (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol is CCN(CC)C1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is QAOGCKMYQLALKG-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-9(4-2)7-5-13(11,12)6-8(7)10/h7-8,10H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol?
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 130683656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).