4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine

C16H32N2O2S — CID 102886488

IUPAC4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C16H32N2O2S/c1-12-11-21(19,20)8-7-18(12)10-13-9-14(16(2,3)4)5-6-15(13)17/h12-15H,5-11,17H2,1-4H3
InChIKeyLXNCCFRRWLGTCL-UHFFFAOYSA-N
MW316.51 g/mol
LogP1.89
Rot. Bonds2

About 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 102886488) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
PubChem CID102886488
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C16H32N2O2S/c1-12-11-21(19,20)8-7-18(12)10-13-9-14(16(2,3)4)5-6-15(13)17/h12-15H,5-11,17H2,1-4H3
InChIKeyLXNCCFRRWLGTCL-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (CID 102886488) is 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is CC1CS(=O)(=O)CCN1CC1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is LXNCCFRRWLGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-12-11-21(19,20)8-7-18(12)10-13-9-14(16(2,3)4)5-6-15(13)17/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 316.51 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102886488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).