1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine

C12H24N2O2S — CID 102884121

IUPAC1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC1(N)CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-11-9-17(15,16)8-7-14(11)10-12(13)5-3-2-4-6-12/h11H,2-10,13H2,1H3
InChIKeyKOFZEXYQJDSDPW-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.77
Rot. Bonds2

About 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine

1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 102884121) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
PubChem CID102884121
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC1(N)CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-11-9-17(15,16)8-7-14(11)10-12(13)5-3-2-4-6-12/h11H,2-10,13H2,1H3
InChIKeyKOFZEXYQJDSDPW-UHFFFAOYSA-N
XLogP0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885914
[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine
CID 102884207
1-[(2-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 60973694
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
CID 102884225
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
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (CID 102884121) is 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is CC1CS(=O)(=O)CCN1CC1(N)CCCCC1.
What is the InChIKey of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is KOFZEXYQJDSDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11-9-17(15,16)8-7-14(11)10-12(13)5-3-2-4-6-12/h11H,2-10,13H2,1H3.
What are the key properties of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102884121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).