1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

C7H16N2O3S — CID 20604768

IUPAC1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESNCC(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O3S/c8-5-7(10)6-9-1-3-13(11,12)4-2-9/h7,10H,1-6,8H2
InChIKeyRMRXMAWUAUWXQB-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.96
Rot. Bonds3

About 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (PubChem CID 20604768) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
PubChem CID20604768
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESNCC(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O3S/c8-5-7(10)6-9-1-3-13(11,12)4-2-9/h7,10H,1-6,8H2
InChIKeyRMRXMAWUAUWXQB-UHFFFAOYSA-N
XLogP-1.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (CID 20604768) is 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is NCC(O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The InChIKey is RMRXMAWUAUWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-5-7(10)6-9-1-3-13(11,12)4-2-9/h7,10H,1-6,8H2.
What are the key properties of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol has a molecular weight of 208.28 g/mol, XLogP of -1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is sourced from PubChem (CID 20604768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).