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

C16H32N2OS — CID 62610497

IUPAC4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CN1CCS(=O)CC1
InChIInChI=1S/C16H32N2OS/c1-3-7-17-16-6-5-14(4-2)12-15(16)13-18-8-10-20(19)11-9-18/h14-17H,3-13H2,1-2H3
InChIKeySZFFCIZSUOTWQQ-UHFFFAOYSA-N
MW300.51 g/mol
LogP2.25
Rot. Bonds6

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

4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 62610497) has the molecular formula C16H32N2OS and a molecular weight of 300.51 g/mol. Its IUPAC name is 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID62610497
Molecular FormulaC16H32N2OS
Molecular Weight300.51 g/mol
Exact Mass300.22
IUPAC Name4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CN1CCS(=O)CC1
InChIInChI=1S/C16H32N2OS/c1-3-7-17-16-6-5-14(4-2)12-15(16)13-18-8-10-20(19)11-9-18/h14-17H,3-13H2,1-2H3
InChIKeySZFFCIZSUOTWQQ-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 52.25
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-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610320
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 115561892
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63403718
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62615391

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine (CID 62610497) is 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1CN1CCS(=O)CC1.
What is the InChIKey of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is SZFFCIZSUOTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2OS/c1-3-7-17-16-6-5-14(4-2)12-15(16)13-18-8-10-20(19)11-9-18/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 300.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62610497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).