2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine

C8H17NO3S — CID 62594926

IUPAC2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine
SMILESCOCCNCC1(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO3S/c1-12-6-5-9-7-8(3-4-8)13(2,10)11/h9H,3-7H2,1-2H3
InChIKeyBJHNKBQKQTZXDA-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.20
Rot. Bonds6

About 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine

2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine (PubChem CID 62594926) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine
PubChem CID62594926
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine
SMILESCOCCNCC1(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO3S/c1-12-6-5-9-7-8(3-4-8)13(2,10)11/h9H,3-7H2,1-2H3
InChIKeyBJHNKBQKQTZXDA-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine (CID 62594926) is 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine is COCCNCC1(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine?
The InChIKey is BJHNKBQKQTZXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-6-5-9-7-8(3-4-8)13(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine?
2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine has a molecular weight of 207.29 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylsulfonylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 62594926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).