[1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine

C8H17NO3S — CID 102568917

IUPAC[1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine
SMILESCCOCC1(CN)CC1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-3-12-6-8(5-9)4-7(8)13(2,10)11/h7H,3-6,9H2,1-2H3
InChIKeyORCOTBQFCYLJDL-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.22
Rot. Bonds5

About [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine

[1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine (PubChem CID 102568917) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine
PubChem CID102568917
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine
SMILESCCOCC1(CN)CC1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-3-12-6-8(5-9)4-7(8)13(2,10)11/h7H,3-6,9H2,1-2H3
InChIKeyORCOTBQFCYLJDL-UHFFFAOYSA-N
XLogP-0.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine
CID 65256447
4-(3-Methoxypropylsulfonyl)-2,2-dimethylbutan-1-amine
CID 65256723
3-[2-(3-Methylbutoxy)ethylsulfonyl]butan-1-amine
CID 81193423
[(1R,2S)-1-(methoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626036
[(1S,2S)-1-(methoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626037
[(1R,2R)-1-(methoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626038
[(1S,2R)-1-(methoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626039
[(1R,2S)-1-(ethoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626040
[(1S,2S)-1-(ethoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626042
[(1R,2R)-1-(ethoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626043
[(1S,2R)-1-(ethoxymethyl)-2-(methylsulfonylmethyl)cyclopropyl]methanamine
CID 97626044
[(1R,2S)-1-(ethoxymethyl)-2-(ethylsulfonylmethyl)cyclopropyl]methanamine
CID 97626074

Frequently Asked Questions

What is the IUPAC name of [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine?
The IUPAC name of [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine (CID 102568917) is [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine.
What is the SMILES notation for [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine?
The canonical SMILES for [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine is CCOCC1(CN)CC1S(C)(=O)=O.
What is the InChIKey of [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine?
The InChIKey is ORCOTBQFCYLJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-12-6-8(5-9)4-7(8)13(2,10)11/h7H,3-6,9H2,1-2H3.
What are the key properties of [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine?
[1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine has a molecular weight of 207.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethoxymethyl)-2-methylsulfonylcyclopropyl]methanamine is sourced from PubChem (CID 102568917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).