N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine

C9H18N2O2S — CID 62559492

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-2-3-10-4-5-11-6-8-14(12,13)9-7-11/h2,10H,1,3-9H2
InChIKeyKDLMAUYPETWBHB-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.51
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine (PubChem CID 62559492) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
PubChem CID62559492
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-2-3-10-4-5-11-6-8-14(12,13)9-7-11/h2,10H,1,3-9H2
InChIKeyKDLMAUYPETWBHB-UHFFFAOYSA-N
XLogP-0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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]prop-2-en-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine (CID 62559492) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
The InChIKey is KDLMAUYPETWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-3-10-4-5-11-6-8-14(12,13)9-7-11/h2,10H,1,3-9H2.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine has a molecular weight of 218.32 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62559492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).