(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine

C12H24N2O2S — CID 58799814

IUPAC(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
SMILESN[C@H](CN1CCCCS1(=O)=O)C1CCCCC1
InChIInChI=1S/C12H24N2O2S/c13-12(11-6-2-1-3-7-11)10-14-8-4-5-9-17(14,15)16/h11-12H,1-10,13H2/t12-/m1/s1
InChIKeyYIRZIUGJZRXJFF-GFCCVEGCSA-N
MW260.40 g/mol
LogP1.32
Rot. Bonds3

About (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine

(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine (PubChem CID 58799814) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
PubChem CID58799814
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
SMILESN[C@H](CN1CCCCS1(=O)=O)C1CCCCC1
InChIInChI=1S/C12H24N2O2S/c13-12(11-6-2-1-3-7-11)10-14-8-4-5-9-17(14,15)16/h11-12H,1-10,13H2/t12-/m1/s1
InChIKeyYIRZIUGJZRXJFF-GFCCVEGCSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine (CID 58799814) is (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine is N[C@H](CN1CCCCS1(=O)=O)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
The InChIKey is YIRZIUGJZRXJFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2S/c13-12(11-6-2-1-3-7-11)10-14-8-4-5-9-17(14,15)16/h11-12H,1-10,13H2/t12-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine?
(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine has a molecular weight of 260.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine is sourced from PubChem (CID 58799814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).