2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine

C10H21NO2S — CID 65492431

IUPAC2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine
SMILESCCCCS(=O)(=O)CC1(CCN)CC1
InChIInChI=1S/C10H21NO2S/c1-2-3-8-14(12,13)9-10(4-5-10)6-7-11/h2-9,11H2,1H3
InChIKeyOXPLYFRFZFWKQC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine

2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine (PubChem CID 65492431) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine
PubChem CID65492431
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine
SMILESCCCCS(=O)(=O)CC1(CCN)CC1
InChIInChI=1S/C10H21NO2S/c1-2-3-8-14(12,13)9-10(4-5-10)6-7-11/h2-9,11H2,1H3
InChIKeyOXPLYFRFZFWKQC-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine (CID 65492431) is 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine is CCCCS(=O)(=O)CC1(CCN)CC1.
What is the InChIKey of 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine?
The InChIKey is OXPLYFRFZFWKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-3-8-14(12,13)9-10(4-5-10)6-7-11/h2-9,11H2,1H3.
What are the key properties of 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine?
2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65492431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).