3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine

C9H20N2O2S — CID 61348835

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine
SMILESCCNCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-10-4-3-5-11-6-8-14(12,13)9-7-11/h10H,2-9H2,1H3
InChIKeyWWWJEKPVHJECMH-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.28
Rot. Bonds5

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine (PubChem CID 61348835) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine
PubChem CID61348835
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine
SMILESCCNCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-10-4-3-5-11-6-8-14(12,13)9-7-11/h10H,2-9H2,1H3
InChIKeyWWWJEKPVHJECMH-UHFFFAOYSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Aminopropyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 24728054
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
2,2-Dimethyl-1-thiomorpholine-1,1-dione
CID 67980490
2-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75421030
2,6-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 86775308
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959
(2S)-2-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137833664
2,2-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 146049467
Methylsulfonyl propyl piperazine
CID 91804237
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
2-Methylthiomorpholine 1,1-dioxide
CID 14953860
4-(Propane-1-sulfonyl)piperidine
CID 54059246

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine (CID 61348835) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine is CCNCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine?
The InChIKey is WWWJEKPVHJECMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-10-4-3-5-11-6-8-14(12,13)9-7-11/h10H,2-9H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine has a molecular weight of 220.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 61348835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).