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

C15H30N2OS — CID 62610496

IUPACN,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN1CCS(=O)CC1
InChIInChI=1S/C15H30N2OS/c1-3-13-5-6-15(16-4-2)14(11-13)12-17-7-9-19(18)10-8-17/h13-16H,3-12H2,1-2H3
InChIKeyJCGLNRQWSHINTB-UHFFFAOYSA-N
MW286.48 g/mol
LogP1.86
Rot. Bonds5

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

N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62610496) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
PubChem CID62610496
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN1CCS(=O)CC1
InChIInChI=1S/C15H30N2OS/c1-3-13-5-6-15(16-4-2)14(11-13)12-17-7-9-19(18)10-8-17/h13-16H,3-12H2,1-2H3
InChIKeyJCGLNRQWSHINTB-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62610497
4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610320
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
N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63636012
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N,4-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107395213
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine (CID 62610496) is N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1CN1CCS(=O)CC1.
What is the InChIKey of N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is JCGLNRQWSHINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-3-13-5-6-15(16-4-2)14(11-13)12-17-7-9-19(18)10-8-17/h13-16H,3-12H2,1-2H3.
What are the key properties of N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine?
N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 286.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62610496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).