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

C10H22N2O3S — CID 102887351

IUPAC1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC1CS(=O)(=O)CCN1CCC(C)(O)CN
InChIInChI=1S/C10H22N2O3S/c1-9-7-16(14,15)6-5-12(9)4-3-10(2,13)8-11/h9,13H,3-8,11H2,1-2H3
InChIKeyBYCKEEMZIXXDBW-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.79
Rot. Bonds4

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

1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 102887351) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID102887351
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC1CS(=O)(=O)CCN1CCC(C)(O)CN
InChIInChI=1S/C10H22N2O3S/c1-9-7-16(14,15)6-5-12(9)4-3-10(2,13)8-11/h9,13H,3-8,11H2,1-2H3
InChIKeyBYCKEEMZIXXDBW-UHFFFAOYSA-N
XLogP-0.79
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (CID 102887351) is 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is CC1CS(=O)(=O)CCN1CCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is BYCKEEMZIXXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9-7-16(14,15)6-5-12(9)4-3-10(2,13)8-11/h9,13H,3-8,11H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol has a molecular weight of 250.36 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is sourced from PubChem (CID 102887351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).