N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine

C12H20N4O2S — CID 107379250

IUPACN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H20N4O2S/c1-10(2)13-7-11-8-15-12(9-14-11)16-3-5-19(17,18)6-4-16/h8-10,13H,3-7H2,1-2H3
InChIKeyNIZSYYPYBILFFN-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.21
Rot. Bonds4

About N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107379250) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107379250
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H20N4O2S/c1-10(2)13-7-11-8-15-12(9-14-11)16-3-5-19(17,18)6-4-16/h8-10,13H,3-7H2,1-2H3
InChIKeyNIZSYYPYBILFFN-UHFFFAOYSA-N
XLogP0.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

3-(1-Ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile
CID 56789852
N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide
CID 57584457
N-methyl-N-[3-(methylaminomethyl)pyrazin-2-yl]methanesulfonamide
CID 71182782
4-(5-Methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 130244090
[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrazin-2-yl]methanamine
CID 168933633
3-Methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 169233149
Pyrazinecarbothioamide, 6-(diethylamino)-N-(1-piperazinylmethyl)-
CID 12283243
2-(Propan-2-ylsulfanylmethyl)-1,4-dihydropteridine
CID 15937908
2-(Propan-2-ylsulfonylmethyl)-1,4-dihydropteridine
CID 15937914
N-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methyl]-3,6-dimethyl-2-pyrazinamine
CID 39826449
3-(1,1-Dioxo-1,4-thiazinan-4-yl)pyrazine-2-carboximidamide
CID 55104884
3-(4-Methylsulfonylpiperazin-1-yl)pyrazine-2-carboximidamide
CID 55133320

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 107379250) is N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is NIZSYYPYBILFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10(2)13-7-11-8-15-12(9-14-11)16-3-5-19(17,18)6-4-16/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 284.38 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107379250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).