4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine

C14H28N2OS — CID 62610320

IUPAC4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C14H28N2OS/c1-3-12-4-5-14(15-2)13(10-12)11-16-6-8-18(17)9-7-16/h12-15H,3-11H2,1-2H3
InChIKeyHPKQYAQVPVXDOJ-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.47
Rot. Bonds4

About 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine

4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62610320) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
PubChem CID62610320
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C14H28N2OS/c1-3-12-4-5-14(15-2)13(10-12)11-16-6-8-18(17)9-7-16/h12-15H,3-11H2,1-2H3
InChIKeyHPKQYAQVPVXDOJ-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610496
4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62610497
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
4-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 83222012
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66383602
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286
4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616060
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methylcyclopentan-1-amine
CID 62610911

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (CID 62610320) is 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is CCC1CCC(NC)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is HPKQYAQVPVXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-3-12-4-5-14(15-2)13(10-12)11-16-6-8-18(17)9-7-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 272.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62610320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).