N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

C12H25N3O3S — CID 55133515

IUPACN-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C12H25N3O3S/c1-13-9-12(3-8-18-11-12)10-14-4-6-15(7-5-14)19(2,16)17/h13H,3-11H2,1-2H3
InChIKeyONTVSLUEZPKAMS-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.81
Rot. Bonds5

About N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 55133515) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID55133515
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C12H25N3O3S/c1-13-9-12(3-8-18-11-12)10-14-4-6-15(7-5-14)19(2,16)17/h13H,3-11H2,1-2H3
InChIKeyONTVSLUEZPKAMS-UHFFFAOYSA-N
XLogP-0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-3-ylmethylamino)ethyl]methanesulfonamide
CID 43208180
2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55133714
[4-[(4-Methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 55133904
1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62256663
4-Methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 62992215
N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 63002399
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 63003823
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 63003824
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63003999
[3-[(4-Methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 63004883
N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 63005065

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (CID 55133515) is N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is CNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1.
What is the InChIKey of N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is ONTVSLUEZPKAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-13-9-12(3-8-18-11-12)10-14-4-6-15(7-5-14)19(2,16)17/h13H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 55133515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).