N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

C13H28N2O3S — CID 102887022

IUPACN-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCCOCCCNCC(C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H28N2O3S/c1-4-18-8-5-6-14-10-12(2)15-7-9-19(16,17)11-13(15)3/h12-14H,4-11H2,1-3H3
InChIKeySOEFKTXYSSKLQK-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.51
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 102887022) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID102887022
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCCOCCCNCC(C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H28N2O3S/c1-4-18-8-5-6-14-10-12(2)15-7-9-19(16,17)11-13(15)3/h12-14H,4-11H2,1-3H3
InChIKeySOEFKTXYSSKLQK-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propylpentan-1-amine
CID 102886877
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114597202
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
N-(3-ethoxypropyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004023
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
CID 102886069

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (CID 102887022) is N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is CCOCCCNCC(C)N1CCS(=O)(=O)CC1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is SOEFKTXYSSKLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-18-8-5-6-14-10-12(2)15-7-9-19(16,17)11-13(15)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 102887022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).