1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine

C12H26N2O3S — CID 79609763

IUPAC1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
SMILESCNC(CCC1CCCN(S(C)(=O)=O)C1)COC
InChIInChI=1S/C12H26N2O3S/c1-13-12(10-17-2)7-6-11-5-4-8-14(9-11)18(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyRYNXDXVTEPSXCH-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.67
Rot. Bonds7

About 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine

1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine (PubChem CID 79609763) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
PubChem CID79609763
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
SMILESCNC(CCC1CCCN(S(C)(=O)=O)C1)COC
InChIInChI=1S/C12H26N2O3S/c1-13-12(10-17-2)7-6-11-5-4-8-14(9-11)18(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyRYNXDXVTEPSXCH-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916
4-cyclopentyl-1-methoxy-N-methylbutan-2-amine
CID 62320367
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
3-methoxy-N,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116720079
3-(3-bromo-4,4-dimethylpentyl)-1-methylsulfonylpiperidine
CID 79622466
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116760948

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine (CID 79609763) is 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine is CNC(CCC1CCCN(S(C)(=O)=O)C1)COC.
What is the InChIKey of 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The InChIKey is RYNXDXVTEPSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-13-12(10-17-2)7-6-11-5-4-8-14(9-11)18(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine is sourced from PubChem (CID 79609763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).