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

C8H17NO3S — CID 58988045

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCCC(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-2-8(10)7-9-3-5-13(11,12)6-4-9/h8,10H,2-7H2,1H3
InChIKeyBOZBOXDPZJZEGD-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds3

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

1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 58988045) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID58988045
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCCC(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-2-8(10)7-9-3-5-13(11,12)6-4-9/h8,10H,2-7H2,1H3
InChIKeyBOZBOXDPZJZEGD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (CID 58988045) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is CCC(O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is BOZBOXDPZJZEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-8(10)7-9-3-5-13(11,12)6-4-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-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 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is sourced from PubChem (CID 58988045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).