1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine

C10H23NO3S — CID 107760207

IUPAC1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine
SMILESCNC(COC)CS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)5-6-15(12,13)8-10(11-3)7-14-4/h9-11H,5-8H2,1-4H3
InChIKeyDEJPBTUXYBQBJG-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.68
Rot. Bonds8

About 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine

1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine (PubChem CID 107760207) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine
PubChem CID107760207
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine
SMILESCNC(COC)CS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)5-6-15(12,13)8-10(11-3)7-14-4/h9-11H,5-8H2,1-4H3
InChIKeyDEJPBTUXYBQBJG-UHFFFAOYSA-N
XLogP0.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 57992668
2-(3-methylbutoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 61483671
N-[2-(2-methylsulfonylethoxy)ethyl]propan-2-amine
CID 62342200
N-[2-(3-methoxypropylsulfonyl)ethyl]-2-methylpropan-2-amine
CID 64673484
2-methyl-N-[2-[3-(3-methylbutoxy)propylsulfonyl]ethyl]propan-2-amine
CID 132135464
N-[2-(3-ethoxypropylsulfonyl)ethyl]propan-2-amine
CID 134441130
[(3R)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)azanium
CID 7128943
[(3S)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)azanium
CID 7128945
N-(1-methoxypropan-2-yl)-1,1-dioxothiolan-3-amine
CID 20115709
N-(2-ethoxyethyl)-1,1-dioxothiolan-3-amine
CID 43387921
N-(2-methoxyethyl)-1,1-dioxothian-4-amine
CID 43511424
N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine
CID 43511456

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine (CID 107760207) is 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine is CNC(COC)CS(=O)(=O)CCC(C)C.
What is the InChIKey of 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine?
The InChIKey is DEJPBTUXYBQBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)5-6-15(12,13)8-10(11-3)7-14-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine?
1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine is sourced from PubChem (CID 107760207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).