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

C9H20N2O3S — CID 64797716

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-10-9(8-12)2-3-11-4-6-15(13,14)7-5-11/h9-10,12H,2-8H2,1H3
InChIKeyJWJOOUDTHOENNQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-1.31
Rot. Bonds5

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

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol (PubChem CID 64797716) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
PubChem CID64797716
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-10-9(8-12)2-3-11-4-6-15(13,14)7-5-11/h9-10,12H,2-8H2,1H3
InChIKeyJWJOOUDTHOENNQ-UHFFFAOYSA-N
XLogP-1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol (CID 64797716) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol is CNC(CO)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol?
The InChIKey is JWJOOUDTHOENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-9(8-12)2-3-11-4-6-15(13,14)7-5-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol has a molecular weight of 236.34 g/mol, XLogP of -1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64797716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).