(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine

C12H19N3O2S — CID 102883966

IUPAC(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
SMILESCC1CS(=O)(=O)CCN1c1ccc([C@H](C)N)cn1
InChIInChI=1S/C12H19N3O2S/c1-9-8-18(16,17)6-5-15(9)12-4-3-11(7-14-12)10(2)13/h3-4,7,9-10H,5-6,8,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyVKNDCRIIUXBNJY-AXDSSHIGSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds2

About (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine

(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine (PubChem CID 102883966) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
PubChem CID102883966
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
SMILESCC1CS(=O)(=O)CCN1c1ccc([C@H](C)N)cn1
InChIInChI=1S/C12H19N3O2S/c1-9-8-18(16,17)6-5-15(9)12-4-3-11(7-14-12)10(2)13/h3-4,7,9-10H,5-6,8,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyVKNDCRIIUXBNJY-AXDSSHIGSA-N
XLogP0.72
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine with MolForge

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Related Compounds

6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884285
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
CID 102883784
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 102884906
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
1-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]ethanamine
CID 102884344
5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
CID 114090699
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 102883952
4-(5-iodopyrimidin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 104843890
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
CID 102884804

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine (CID 102883966) is (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine is CC1CS(=O)(=O)CCN1c1ccc([C@H](C)N)cn1.
What is the InChIKey of (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is VKNDCRIIUXBNJY-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-8-18(16,17)6-5-15(9)12-4-3-11(7-14-12)10(2)13/h3-4,7,9-10H,5-6,8,13H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102883966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).