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

C10H23N3O3S — CID 107505701

IUPAC1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCNC(COC)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O3S/c1-11-10(9-16-2)8-12-4-6-13(7-5-12)17(3,14)15/h10-11H,4-9H2,1-3H3
InChIKeyQRNUNPCNIVBQKM-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.20
Rot. Bonds6

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

1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (PubChem CID 107505701) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
PubChem CID107505701
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCNC(COC)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O3S/c1-11-10(9-16-2)8-12-4-6-13(7-5-12)17(3,14)15/h10-11H,4-9H2,1-3H3
InChIKeyQRNUNPCNIVBQKM-UHFFFAOYSA-N
XLogP-1.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methoxy-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 107505699
1-(azepan-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505254
2-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 62992791
1-methylsulfonyl-4-[2-methylsulfonyl-2-[1-methylsulfonyl-2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]piperazine
CID 174658352
1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79609763
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505877
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505301
1-methoxy-N-methyl-3-(2-methylmorpholin-4-yl)propan-2-amine
CID 107505257
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505934
1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine
CID 59596479
1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
CID 107506202

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (CID 107505701) is 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is CNC(COC)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The InChIKey is QRNUNPCNIVBQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-11-10(9-16-2)8-12-4-6-13(7-5-12)17(3,14)15/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine has a molecular weight of 265.38 g/mol, XLogP of -1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 107505701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).