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

C14H28N2O3S — CID 103061064

IUPAC3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H28N2O3S/c1-3-5-15-14-4-7-19-10-13(14)9-16-6-8-20(17,18)11-12(16)2/h12-15H,3-11H2,1-2H3
InChIKeyDJDZJNQUXCZLKL-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.51
Rot. Bonds5

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

3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine (PubChem CID 103061064) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine
PubChem CID103061064
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H28N2O3S/c1-3-5-15-14-4-7-19-10-13(14)9-16-6-8-20(17,18)11-12(16)2/h12-15H,3-11H2,1-2H3
InChIKeyDJDZJNQUXCZLKL-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941
2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616709
4-[(2-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 66256953
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
3-hexyl-N-propyloxan-4-amine
CID 106469429
[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
CID 102884225
3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
4-[(3-ethylmorpholin-4-yl)methyl]-N-propyloxolan-3-amine
CID 66255623
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 102886553
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine (CID 103061064) is 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine?
The InChIKey is DJDZJNQUXCZLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-5-15-14-4-7-19-10-13(14)9-16-6-8-20(17,18)11-12(16)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine?
3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine has a molecular weight of 304.46 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103061064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).