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

C10H22N2O2S — CID 102884252

IUPAC3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
SMILESCC(C)C(N)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H22N2O2S/c1-8(2)10(11)6-12-4-5-15(13,14)7-9(12)3/h8-10H,4-7,11H2,1-3H3
InChIKeyOOIHUXRDKQRGHE-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.09
Rot. Bonds3

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

3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine (PubChem CID 102884252) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
PubChem CID102884252
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
SMILESCC(C)C(N)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H22N2O2S/c1-8(2)10(11)6-12-4-5-15(13,14)7-9(12)3/h8-10H,4-7,11H2,1-3H3
InChIKeyOOIHUXRDKQRGHE-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine (CID 102884252) is 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine is CC(C)C(N)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine?
The InChIKey is OOIHUXRDKQRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)10(11)6-12-4-5-15(13,14)7-9(12)3/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine?
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine has a molecular weight of 234.36 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine is sourced from PubChem (CID 102884252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).