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

C12H24N2O2S — CID 64554463

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-11-3-2-4-12(13,9-11)10-14-5-7-17(15,16)8-6-14/h11H,2-10,13H2,1H3
InChIKeyCJQYRPQMQJFKBP-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds2

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

1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 64554463) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID64554463
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-11-3-2-4-12(13,9-11)10-14-5-7-17(15,16)8-6-14/h11H,2-10,13H2,1H3
InChIKeyCJQYRPQMQJFKBP-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine (CID 64554463) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(CN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is CJQYRPQMQJFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11-3-2-4-12(13,9-11)10-14-5-7-17(15,16)8-6-14/h11H,2-10,13H2,1H3.
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64554463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).