4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol

C11H21NO4S — CID 61431833

IUPAC4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC1CCCCO1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H21NO4S/c1-12(6-9-4-2-3-5-16-9)10-7-17(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyUAVSTSWPUMDWIT-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.35
Rot. Bonds3

About 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol

4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 61431833) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID61431833
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC1CCCCO1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H21NO4S/c1-12(6-9-4-2-3-5-16-9)10-7-17(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyUAVSTSWPUMDWIT-UHFFFAOYSA-N
XLogP-0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-3-ol, tetrahydro-4-(1-piperidinyl)-, 1,1-dioxide
CID 2851717
4-Morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 2831182
1-[1-(2-Propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
CID 71861857
N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 84586200
(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol
CID 170452583
(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
CID 1360441
(3R,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
CID 1360442
(3R,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 1380499
(3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 1380500
(3S,4S)-3-hydroxy-4-(piperidin-1-yl)-1lambda6-thiolane-1,1-dione
CID 6555452
(3S,4S)-3-Hydroxy-4-morpholinotetrahydrothiophene 1,1-dioxide
CID 6555859
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
CID 6982120

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol (CID 61431833) is 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol is CN(CC1CCCCO1)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is UAVSTSWPUMDWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-12(6-9-4-2-3-5-16-9)10-7-17(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 263.36 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 61431833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).