N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine

C8H19N3O2S — CID 58283093

IUPACN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H19N3O2S/c9-1-2-10-3-4-11-5-7-14(12,13)8-6-11/h10H,1-9H2
InChIKeyDWLAXSJPDDCBJH-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.73
Rot. Bonds5

About N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine

N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 58283093) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine
PubChem CID58283093
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H19N3O2S/c9-1-2-10-3-4-11-5-7-14(12,13)8-6-11/h10H,1-9H2
InChIKeyDWLAXSJPDDCBJH-UHFFFAOYSA-N
XLogP-1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]ethane-1,2-diamine?
The IUPAC name of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine (CID 58283093) is N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine is NCCNCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is DWLAXSJPDDCBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-1-2-10-3-4-11-5-7-14(12,13)8-6-11/h10H,1-9H2.
What are the key properties of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine?
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 221.33 g/mol, XLogP of -1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 58283093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).