N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine

C19H37N5O5S — CID 130382935

IUPACN-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C19H37N5O5S/c1-19(2,3)20-4-8-27-10-12-29-13-11-28-9-5-24-17-18(21-22-24)16-23-6-14-30(25,26)15-7-23/h17,20H,4-16H2,1-3H3
InChIKeyKUIZRZMFVYZHBX-UHFFFAOYSA-N
MW447.60 g/mol
LogP-0.05
Rot. Bonds14

About N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 130382935) has the molecular formula C19H37N5O5S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID130382935
Molecular FormulaC19H37N5O5S
Molecular Weight447.60 g/mol
Exact Mass447.25
IUPAC NameN-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C19H37N5O5S/c1-19(2,3)20-4-8-27-10-12-29-13-11-28-9-5-24-17-18(21-22-24)16-23-6-14-30(25,26)15-7-23/h17,20H,4-16H2,1-3H3
InChIKeyKUIZRZMFVYZHBX-UHFFFAOYSA-N
XLogP-0.05
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 158632737
2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146315804
N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-ethylbicyclo[1.1.0]butan-2-amine
CID 163690044
N-[[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62431810
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine
CID 162049312
2-[2-[2-[2-[2-[5-deuterio-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 167345236
2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethanamine;6-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]-2-methylhex-1-en-3-one;methane;2-methylprop-2-enoyl chloride
CID 162018725
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368
N-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methyltriazol-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine
CID 167345230
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
CID 164700684

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine (CID 130382935) is N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1.
What is the InChIKey of N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is KUIZRZMFVYZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O5S/c1-19(2,3)20-4-8-27-10-12-29-13-11-28-9-5-24-17-18(21-22-24)16-23-6-14-30(25,26)15-7-23/h17,20H,4-16H2,1-3H3.
What are the key properties of N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 447.60 g/mol, XLogP of -0.05, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 130382935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).