2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine

C10H21NOS — CID 81328322

IUPAC2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
SMILESCCC(C)S(=O)CC1(CCN)CC1
InChIInChI=1S/C10H21NOS/c1-3-9(2)13(12)8-10(4-5-10)6-7-11/h9H,3-8,11H2,1-2H3
InChIKeyBURAVVJKWWATOT-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.66
Rot. Bonds6

About 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine

2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine (PubChem CID 81328322) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
PubChem CID81328322
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
SMILESCCC(C)S(=O)CC1(CCN)CC1
InChIInChI=1S/C10H21NOS/c1-3-9(2)13(12)8-10(4-5-10)6-7-11/h9H,3-8,11H2,1-2H3
InChIKeyBURAVVJKWWATOT-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine (CID 81328322) is 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine is CCC(C)S(=O)CC1(CCN)CC1.
What is the InChIKey of 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
The InChIKey is BURAVVJKWWATOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-9(2)13(12)8-10(4-5-10)6-7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 81328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).