2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine

C12H26N2O2S — CID 62432350

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C(C)C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-10(2)12(9-13-11(3)4)14-5-7-17(15,16)8-6-14/h10-13H,5-9H2,1-4H3
InChIKeyJRXJFKUCXMVEEB-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62432350) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62432350
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C(C)C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-10(2)12(9-13-11(3)4)14-5-7-17(15,16)8-6-14/h10-13H,5-9H2,1-4H3
InChIKeyJRXJFKUCXMVEEB-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propylbutan-1-amine
CID 62432349
2-(8-azaspiro[4.5]decan-8-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 63163539
2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 55155561
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)propyl]butan-2-amine
CID 114083784
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
CID 62433248
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclopentanamine
CID 62568806
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
CID 62568807
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115900724
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
CID 43771611
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 62432350) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C(C)C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is JRXJFKUCXMVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)12(9-13-11(3)4)14-5-7-17(15,16)8-6-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62432350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).