2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine

C9H17N3S — CID 131712935

IUPAC2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine
SMILESC1=CSC(CN2CCNCC2)NC1
InChIInChI=1S/C9H17N3S/c1-2-11-9(13-7-1)8-12-5-3-10-4-6-12/h1,7,9-11H,2-6,8H2
InChIKeyYYVQRFMNMTVGRM-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.07
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine

2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine (PubChem CID 131712935) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine
PubChem CID131712935
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine
SMILESC1=CSC(CN2CCNCC2)NC1
InChIInChI=1S/C9H17N3S/c1-2-11-9(13-7-1)8-12-5-3-10-4-6-12/h1,7,9-11H,2-6,8H2
InChIKeyYYVQRFMNMTVGRM-UHFFFAOYSA-N
XLogP0.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
1-[1-(1-Piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine
CID 87309941
1-(2H-thiet-2-yl)piperazine
CID 139929127
1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
CID 142187961
Prop-2-enyl piperazine-1-carbodithioate
CID 153529787
But-2-enyl piperazine-1-carbodithioate
CID 153529794
3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine
CID 154092502
N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
CID 62553911
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 62574529
N-[2-(3-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64052425
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine (CID 131712935) is 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine is C1=CSC(CN2CCNCC2)NC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine?
The InChIKey is YYVQRFMNMTVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-2-11-9(13-7-1)8-12-5-3-10-4-6-12/h1,7,9-11H,2-6,8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine?
2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine has a molecular weight of 199.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 131712935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).