N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine

C12H26N2O3S — CID 79611847

IUPACN-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
SMILESCCNC(COC)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O3S/c1-4-13-12(10-17-2)8-11-6-5-7-14(9-11)18(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyZJDJXGRCWQQOFD-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.67
Rot. Bonds7

About N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine

N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine (PubChem CID 79611847) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
PubChem CID79611847
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
SMILESCCNC(COC)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O3S/c1-4-13-12(10-17-2)8-11-6-5-7-14(9-11)18(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyZJDJXGRCWQQOFD-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

4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79609763
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166948
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine (CID 79611847) is N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine is CCNC(COC)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The InChIKey is ZJDJXGRCWQQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-13-12(10-17-2)8-11-6-5-7-14(9-11)18(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-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 N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine is sourced from PubChem (CID 79611847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).