N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine

C10H22N2O3S — CID 79609993

IUPACN-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
SMILESCNCCOCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-11-5-7-15-9-10-4-3-6-12(8-10)16(2,13)14/h10-11H,3-9H2,1-2H3
InChIKeyUBOBTDHRZDUMMI-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.11
Rot. Bonds6

About N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine

N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine (PubChem CID 79609993) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
PubChem CID79609993
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
SMILESCNCCOCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-11-5-7-15-9-10-4-3-6-12(8-10)16(2,13)14/h10-11H,3-9H2,1-2H3
InChIKeyUBOBTDHRZDUMMI-UHFFFAOYSA-N
XLogP-0.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
CID 79609995
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79609763
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
N-methyl-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 79612634
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine?
The IUPAC name of N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine (CID 79609993) is N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine?
The canonical SMILES for N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine is CNCCOCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine?
The InChIKey is UBOBTDHRZDUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-11-5-7-15-9-10-4-3-6-12(8-10)16(2,13)14/h10-11H,3-9H2,1-2H3.
What are the key properties of N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine?
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine has a molecular weight of 250.36 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine is sourced from PubChem (CID 79609993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).