[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine

C12H24N2O2S — CID 102884225

IUPAC[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
SMILESCC1CS(=O)(=O)CCN1CC1CCCC1CN
InChIInChI=1S/C12H24N2O2S/c1-10-9-17(15,16)6-5-14(10)8-12-4-2-3-11(12)7-13/h10-12H,2-9,13H2,1H3
InChIKeyZERVAOKOCWHILP-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.48
Rot. Bonds3

About [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine

[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine (PubChem CID 102884225) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
PubChem CID102884225
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
SMILESCC1CS(=O)(=O)CCN1CC1CCCC1CN
InChIInChI=1S/C12H24N2O2S/c1-10-9-17(15,16)6-5-14(10)8-12-4-2-3-11(12)7-13/h10-12H,2-9,13H2,1H3
InChIKeyZERVAOKOCWHILP-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine with MolForge

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Related Compounds

4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102886488
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine
CID 103061064
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102884121
2-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102882706
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine
CID 102884207
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
CID 102884254
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine (CID 102884225) is [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine is CC1CS(=O)(=O)CCN1CC1CCCC1CN.
What is the InChIKey of [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine?
The InChIKey is ZERVAOKOCWHILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-9-17(15,16)6-5-14(10)8-12-4-2-3-11(12)7-13/h10-12H,2-9,13H2,1H3.
What are the key properties of [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine?
[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 102884225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).