N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine

C13H27N3O3S — CID 63002399

IUPACN-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOCC1
InChIInChI=1S/C13H27N3O3S/c1-14-11-13(3-9-19-10-4-13)12-15-5-7-16(8-6-15)20(2,17)18/h14H,3-12H2,1-2H3
InChIKeyQUGVMLXWSPCVSG-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.42
Rot. Bonds5

About N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine

N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine (PubChem CID 63002399) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
PubChem CID63002399
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOCC1
InChIInChI=1S/C13H27N3O3S/c1-14-11-13(3-9-19-10-4-13)12-15-5-7-16(8-6-15)20(2,17)18/h14H,3-12H2,1-2H3
InChIKeyQUGVMLXWSPCVSG-UHFFFAOYSA-N
XLogP-0.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide
CID 166979044
1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55065943
N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55133515
[4-[(4-Methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 55133904
N-[2-(oxan-4-ylmethylamino)ethyl]methanesulfonamide
CID 62386037
1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62390256
N-methyl-1-[4-[(4-propylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 62391110
N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 62391283
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62392696
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392697
[4-(4-Methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine
CID 62993252
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 63003823

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine (CID 63002399) is N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine is CNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOCC1.
What is the InChIKey of N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is QUGVMLXWSPCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14-11-13(3-9-19-10-4-13)12-15-5-7-16(8-6-15)20(2,17)18/h14H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine?
N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 305.44 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 63002399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).