N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine

C12H26N2O2S — CID 62554738

IUPACN-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
SMILESCCCCOCCNCCN1CCS(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-9-16-10-5-13-4-6-14-7-11-17(15)12-8-14/h13H,2-12H2,1H3
InChIKeyZCSAVYFJBDZOGR-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.46
Rot. Bonds9

About N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine

N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 62554738) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID62554738
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
SMILESCCCCOCCNCCN1CCS(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-9-16-10-5-13-4-6-14-7-11-17(15)12-8-14/h13H,2-12H2,1H3
InChIKeyZCSAVYFJBDZOGR-UHFFFAOYSA-N
XLogP0.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.46
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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Related Compounds

N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216424
N-(2-butoxyethyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 62574260
N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63621704
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
N-(2-butoxyethyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81194356
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630
1-(4-butoxybutyl)piperidin-4-one
CID 70278532

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine (CID 62554738) is N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine is CCCCOCCNCCN1CCS(=O)CC1.
What is the InChIKey of N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is ZCSAVYFJBDZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-3-9-16-10-5-13-4-6-14-7-11-17(15)12-8-14/h13H,2-12H2,1H3.
What are the key properties of N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 262.42 g/mol, XLogP of 0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine is sourced from PubChem (CID 62554738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).