2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine

C8H17NO2S — CID 65494501

IUPAC2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine
SMILESCCS(=O)(=O)CC1(CCN)CC1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-8(3-4-8)5-6-9/h2-7,9H2,1H3
InChIKeyMDFUPPOYYFPVNO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds5

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

2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine (PubChem CID 65494501) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine
PubChem CID65494501
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine
SMILESCCS(=O)(=O)CC1(CCN)CC1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-8(3-4-8)5-6-9/h2-7,9H2,1H3
InChIKeyMDFUPPOYYFPVNO-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine (CID 65494501) is 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine is CCS(=O)(=O)CC1(CCN)CC1.
What is the InChIKey of 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine?
The InChIKey is MDFUPPOYYFPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-12(10,11)7-8(3-4-8)5-6-9/h2-7,9H2,1H3.
What are the key properties of 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine?
2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65494501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).