1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine

C11H22N2O2S — CID 62561173

IUPAC1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine
SMILESCC(NCCN1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-10(11-2-3-11)12-4-5-13-6-8-16(14,15)9-7-13/h10-12H,2-9H2,1H3
InChIKeySKYZWRHLNROJEL-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.10
Rot. Bonds5

About 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine (PubChem CID 62561173) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine
PubChem CID62561173
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine
SMILESCC(NCCN1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-10(11-2-3-11)12-4-5-13-6-8-16(14,15)9-7-13/h10-12H,2-9H2,1H3
InChIKeySKYZWRHLNROJEL-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine (CID 62561173) is 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine is CC(NCCN1CCS(=O)(=O)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine?
The InChIKey is SKYZWRHLNROJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(11-2-3-11)12-4-5-13-6-8-16(14,15)9-7-13/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine is sourced from PubChem (CID 62561173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).