2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine

C9H20N2O2S — CID 43581354

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-9(2,8-10)11-4-6-14(12,13)7-5-11/h3-8,10H2,1-2H3
InChIKeyOOOGCUBKFREXAA-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.16
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine (PubChem CID 43581354) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine
PubChem CID43581354
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-9(2,8-10)11-4-6-14(12,13)7-5-11/h3-8,10H2,1-2H3
InChIKeyOOOGCUBKFREXAA-UHFFFAOYSA-N
XLogP-0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
CID 84592132
[1,1-Dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 63162948
N-methyl-3-[4-(3-methylbutyl)piperazin-1-yl]propane-1-sulfonamide
CID 56805875
1-(3-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
CID 20811810
4-(1-Amino-2-methylpropan-2-yl)thiomorpholine 1,1-dioxide
CID 43581323
4-(2-Aminopropyl)-1,4-thiazaperhydroine-1,1-dione
CID 43581610
(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine
CID 57851550
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine
CID 59472435
2,2-Dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 59603416
2,2-Dimethyl-1-(2-(methylsulfonyl)ethyl)piperazine
CID 59606088
1-(2-Tert-butylsulfonylethyl)piperazine
CID 59868665
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine
CID 62633303

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine (CID 43581354) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine is CCC(C)(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine?
The InChIKey is OOOGCUBKFREXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-9(2,8-10)11-4-6-14(12,13)7-5-11/h3-8,10H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine has a molecular weight of 220.34 g/mol, XLogP of -0.16, 3 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)-2-methylbutan-1-amine is sourced from PubChem (CID 43581354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).