1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine

C9H18N2O2S — CID 116816809

IUPAC1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
SMILESNC(CN1CCCCS1(=O)=O)C1CC1
InChIInChI=1S/C9H18N2O2S/c10-9(8-3-4-8)7-11-5-1-2-6-14(11,12)13/h8-9H,1-7,10H2
InChIKeyJBEXJXCWFOCEJI-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.15
Rot. Bonds3

About 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine

1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine (PubChem CID 116816809) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
PubChem CID116816809
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
SMILESNC(CN1CCCCS1(=O)=O)C1CC1
InChIInChI=1S/C9H18N2O2S/c10-9(8-3-4-8)7-11-5-1-2-6-14(11,12)13/h8-9H,1-7,10H2
InChIKeyJBEXJXCWFOCEJI-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine (CID 116816809) is 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine is NC(CN1CCCCS1(=O)=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
The InChIKey is JBEXJXCWFOCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-9(8-3-4-8)7-11-5-1-2-6-14(11,12)13/h8-9H,1-7,10H2.
What are the key properties of 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine has a molecular weight of 218.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine is sourced from PubChem (CID 116816809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).