3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine

C9H18N2O2S — CID 102887540

IUPAC3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
SMILESCC1CS(=O)(=O)CCN1C1CC(N)C1
InChIInChI=1S/C9H18N2O2S/c1-7-6-14(12,13)3-2-11(7)9-4-8(10)5-9/h7-9H,2-6,10H2,1H3
InChIKeyYBVSPDNZVPHSJL-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.41
Rot. Bonds1

About 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine (PubChem CID 102887540) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
PubChem CID102887540
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
SMILESCC1CS(=O)(=O)CCN1C1CC(N)C1
InChIInChI=1S/C9H18N2O2S/c1-7-6-14(12,13)3-2-11(7)9-4-8(10)5-9/h7-9H,2-6,10H2,1H3
InChIKeyYBVSPDNZVPHSJL-UHFFFAOYSA-N
XLogP-0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)cycloheptane-1-carbonitrile
CID 102883430
(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 167985024
[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
CID 102887311
4-(azetidin-3-yl)-5-methyl-1,4-thiazepane 1,1-dioxide;hydrochloride
CID 131159815
N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
CID 102884051
1-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 102886193
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 102886086
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 102886942
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine (CID 102887540) is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine is CC1CS(=O)(=O)CCN1C1CC(N)C1.
What is the InChIKey of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
The InChIKey is YBVSPDNZVPHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-6-14(12,13)3-2-11(7)9-4-8(10)5-9/h7-9H,2-6,10H2,1H3.
What are the key properties of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine has a molecular weight of 218.32 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 102887540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).