N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

C11H25N3O3S — CID 107505699

IUPACN-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCCNC(COC)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H25N3O3S/c1-4-12-11(10-17-2)9-13-5-7-14(8-6-13)18(3,15)16/h11-12H,4-10H2,1-3H3
InChIKeyWIPQJQDPKARZBB-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.81
Rot. Bonds7

About N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (PubChem CID 107505699) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
PubChem CID107505699
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCCNC(COC)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H25N3O3S/c1-4-12-11(10-17-2)9-13-5-7-14(8-6-13)18(3,15)16/h11-12H,4-10H2,1-3H3
InChIKeyWIPQJQDPKARZBB-UHFFFAOYSA-N
XLogP-0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 107505701
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine
CID 107505756
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505868
N-ethyl-1-methoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-amine
CID 107505935
N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505304
1-methylsulfonyl-4-[2-methylsulfonyl-2-[1-methylsulfonyl-2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]piperazine
CID 174658352
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 107505660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (CID 107505699) is N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is CCNC(COC)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The InChIKey is WIPQJQDPKARZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-4-12-11(10-17-2)9-13-5-7-14(8-6-13)18(3,15)16/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine has a molecular weight of 279.41 g/mol, XLogP of -0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 107505699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).