2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile

C11H21N3O2S — CID 102886069

IUPAC2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
SMILESCC(CC(C)(N)C#N)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H21N3O2S/c1-9(6-11(3,13)8-12)14-4-5-17(15,16)7-10(14)2/h9-10H,4-7,13H2,1-3H3
InChIKeyKXBUDKHRRDTPNW-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.12
Rot. Bonds3

About 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile

2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile (PubChem CID 102886069) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
PubChem CID102886069
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
SMILESCC(CC(C)(N)C#N)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H21N3O2S/c1-9(6-11(3,13)8-12)14-4-5-17(15,16)7-10(14)2/h9-10H,4-7,13H2,1-3H3
InChIKeyKXBUDKHRRDTPNW-UHFFFAOYSA-N
XLogP0.12
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentanenitrile
CID 64725681
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887307
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-amino-2-methylpentanenitrile
CID 64725504
4,4,4-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882879
N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102887022
2-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102882706
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propylpentan-1-amine
CID 102886877

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile (CID 102886069) is 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile is CC(CC(C)(N)C#N)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile?
The InChIKey is KXBUDKHRRDTPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-9(6-11(3,13)8-12)14-4-5-17(15,16)7-10(14)2/h9-10H,4-7,13H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile?
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile has a molecular weight of 259.37 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile is sourced from PubChem (CID 102886069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).