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

C14H28N2O2S — CID 62616535

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-7-15-14-6-4-3-5-13(14)12-16-8-10-19(17,18)11-9-16/h13-15H,2-12H2,1H3
InChIKeyLTJOWVPOSJURIK-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.28
Rot. Bonds5

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

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 62616535) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID62616535
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-7-15-14-6-4-3-5-13(14)12-16-8-10-19(17,18)11-9-16/h13-15H,2-12H2,1H3
InChIKeyLTJOWVPOSJURIK-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614441
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616357
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62616468
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propylcycloheptan-1-amine
CID 63973579
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614593
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181
2-[1-[[2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]oxyethanol
CID 82690868

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine (CID 62616535) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is LTJOWVPOSJURIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-7-15-14-6-4-3-5-13(14)12-16-8-10-19(17,18)11-9-16/h13-15H,2-12H2,1H3.
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62616535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).