(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine

C10H22N2O2S — CID 58799657

IUPAC(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)[C@H](N)CN1CCCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9(11)8-12-6-4-5-7-15(12,13)14/h9H,4-8,11H2,1-3H3/t9-/m1/s1
InChIKeyZQSBNTWUSFWPHF-SECBINFHSA-N
MW234.36 g/mol
LogP0.79
Rot. Bonds2

About (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine

(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 58799657) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID58799657
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)[C@H](N)CN1CCCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9(11)8-12-6-4-5-7-15(12,13)14/h9H,4-8,11H2,1-3H3/t9-/m1/s1
InChIKeyZQSBNTWUSFWPHF-SECBINFHSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine 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 (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine (CID 58799657) is (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine is CC(C)(C)[C@H](N)CN1CCCCS1(=O)=O.
What is the InChIKey of (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is ZQSBNTWUSFWPHF-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)9(11)8-12-6-4-5-7-15(12,13)14/h9H,4-8,11H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine?
(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 234.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 58799657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).