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

C18H35N5O5S — CID 130360078

IUPACN-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C18H35N5O5S/c1-17(2)19-3-7-26-9-11-28-12-10-27-8-4-23-16-18(20-21-23)15-22-5-13-29(24,25)14-6-22/h16-17,19H,3-15H2,1-2H3
InChIKeyCUVUGYNLPNGIID-UHFFFAOYSA-N
MW433.58 g/mol
LogP-0.44
Rot. Bonds15

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

N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 130360078) has the molecular formula C18H35N5O5S and a molecular weight of 433.58 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]propan-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]propan-2-amine
PubChem CID130360078
Molecular FormulaC18H35N5O5S
Molecular Weight433.58 g/mol
Exact Mass433.24
IUPAC NameN-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C18H35N5O5S/c1-17(2)19-3-7-26-9-11-28-12-10-27-8-4-23-16-18(20-21-23)15-22-5-13-29(24,25)14-6-22/h16-17,19H,3-15H2,1-2H3
InChIKeyCUVUGYNLPNGIID-UHFFFAOYSA-N
XLogP-0.44
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 5-0.44
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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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]propan-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]propan-2-amine (CID 130360078) is N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propan-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]propan-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]propan-2-amine is CC(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]propan-2-amine?
The InChIKey is CUVUGYNLPNGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O5S/c1-17(2)19-3-7-26-9-11-28-12-10-27-8-4-23-16-18(20-21-23)15-22-5-13-29(24,25)14-6-22/h16-17,19H,3-15H2,1-2H3.
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]propan-2-amine?
N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 433.58 g/mol, XLogP of -0.44, 15 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]propan-2-amine is sourced from PubChem (CID 130360078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).