N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine

C12H26N2O2S — CID 62560247

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)4-5-13-6-7-14-8-10-17(15,16)11-9-14/h13H,4-11H2,1-3H3
InChIKeyUTVOXCLQOGSNIK-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 62560247) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID62560247
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)4-5-13-6-7-14-8-10-17(15,16)11-9-14/h13H,4-11H2,1-3H3
InChIKeyUTVOXCLQOGSNIK-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 62560247) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is UTVOXCLQOGSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)4-5-13-6-7-14-8-10-17(15,16)11-9-14/h13H,4-11H2,1-3H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62560247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).