3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine

C11H25NO4S — CID 114228834

IUPAC3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
SMILESCNC(CS(=O)(=O)CCCOC)C(C)(C)OC
InChIInChI=1S/C11H25NO4S/c1-11(2,16-5)10(12-3)9-17(13,14)8-6-7-15-4/h10,12H,6-9H2,1-5H3
InChIKeyMORWWINEIXDGMQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.45
Rot. Bonds9

About 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine

3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine (PubChem CID 114228834) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
PubChem CID114228834
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
SMILESCNC(CS(=O)(=O)CCCOC)C(C)(C)OC
InChIInChI=1S/C11H25NO4S/c1-11(2,16-5)10(12-3)9-17(13,14)8-6-7-15-4/h10,12H,6-9H2,1-5H3
InChIKeyMORWWINEIXDGMQ-UHFFFAOYSA-N
XLogP0.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3,3-trimethyl-1-pentylsulfonylbutan-2-amine
CID 107758506
1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
CID 107508649
1-(benzenesulfonyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 114228820
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
CID 106807839
1-(3-methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
CID 64675460
N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine
CID 64645611
5-ethyl-1-ethylsulfonyl-5-methoxy-N-methylheptan-4-amine
CID 116760878
1,5-dimethoxy-N,5-dimethylheptan-4-amine
CID 114857129
1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine
CID 107760207

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine (CID 114228834) is 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine is CNC(CS(=O)(=O)CCCOC)C(C)(C)OC.
What is the InChIKey of 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine?
The InChIKey is MORWWINEIXDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-11(2,16-5)10(12-3)9-17(13,14)8-6-7-15-4/h10,12H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine?
3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 0.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 114228834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).