N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine

C11H22N2O2S — CID 80521755

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine
SMILESCCN(CCC1CS(=O)(=O)CCN1)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-2-13(11-3-4-11)7-5-10-9-16(14,15)8-6-12-10/h10-12H,2-9H2,1H3
InChIKeyYGXLZBOCYOJNLV-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.25
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine

N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine (PubChem CID 80521755) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine
PubChem CID80521755
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine
SMILESCCN(CCC1CS(=O)(=O)CCN1)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-2-13(11-3-4-11)7-5-10-9-16(14,15)8-6-12-10/h10-12H,2-9H2,1H3
InChIKeyYGXLZBOCYOJNLV-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine
CID 80522010
N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine
CID 106603532
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
CID 80521218
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 113468661
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80522098
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 80520764
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521983

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine (CID 80521755) is N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine is CCN(CCC1CS(=O)(=O)CCN1)C1CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine?
The InChIKey is YGXLZBOCYOJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-13(11-3-4-11)7-5-10-9-16(14,15)8-6-12-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine?
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine has a molecular weight of 246.38 g/mol, XLogP of 0.25, 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-3-yl)ethyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 80521755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).