2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol

C9H19NO3S — CID 104549673

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-3-9(2,8-11)10-4-6-14(12,13)7-5-10/h11H,3-8H2,1-2H3
InChIKeyXVLRQCNTSBKFNM-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol (PubChem CID 104549673) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol
PubChem CID104549673
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-3-9(2,8-11)10-4-6-14(12,13)7-5-10/h11H,3-8H2,1-2H3
InChIKeyXVLRQCNTSBKFNM-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Hydroxy-1-methylethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 4436119
3-Fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol
CID 154680422
(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 154680480
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 155059538
(3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 167099795
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 7086149
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 7086151
2-(3,3,5,5-Tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol
CID 21394496
1-(1,1-Dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 58988045
(4-Tert-butyl-1-oxo-1,4-thiazinan-2-yl)methanol
CID 89987915
(4-Tert-butyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol
CID 89987923
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-ol
CID 104550463

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol (CID 104549673) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol is CCC(C)(CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol?
The InChIKey is XVLRQCNTSBKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-9(2,8-11)10-4-6-14(12,13)7-5-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 104549673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).