3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine

C11H23NO3S — CID 115892583

IUPAC3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-9(10(2)15-3)12-7-11(5-6-11)8-16(4,13)14/h9-10,12H,5-8H2,1-4H3
InChIKeyZGUFMTWVOBMNQB-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.82
Rot. Bonds7

About 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine

3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine (PubChem CID 115892583) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
PubChem CID115892583
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-9(10(2)15-3)12-7-11(5-6-11)8-16(4,13)14/h9-10,12H,5-8H2,1-4H3
InChIKeyZGUFMTWVOBMNQB-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine
CID 91438008
2,2-diethyl-N-(2-methoxyethyl)-4-methylsulfonylbutan-1-amine
CID 55107039
4-[(2,2-Dimethylcyclopropyl)amino]-1,1-dioxothiolan-3-ol
CID 61892746
1-methoxy-N-(3-methylsulfonylpropyl)propan-2-amine
CID 62535869
N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine
CID 62535871
2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine
CID 62594926
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-methylsulfonylbutan-1-amine
CID 62719883
N-(2-methoxyethyl)-2-methyl-4-methylsulfonylbutan-1-amine
CID 62725675
4-ethylsulfonyl-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62725676
N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine
CID 62725954
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine
CID 64534402

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine (CID 115892583) is 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine is COC(C)C(C)NCC1(CS(C)(=O)=O)CC1.
What is the InChIKey of 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine?
The InChIKey is ZGUFMTWVOBMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(10(2)15-3)12-7-11(5-6-11)8-16(4,13)14/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine?
3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine is sourced from PubChem (CID 115892583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).