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

C9H19NOS — CID 81329383

IUPAC2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
SMILESCC(C)S(=O)CC1(CCN)CC1
InChIInChI=1S/C9H19NOS/c1-8(2)12(11)7-9(3-4-9)5-6-10/h8H,3-7,10H2,1-2H3
InChIKeySLUSIFRWIHKEKB-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.27
Rot. Bonds5

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

2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine (PubChem CID 81329383) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
PubChem CID81329383
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
SMILESCC(C)S(=O)CC1(CCN)CC1
InChIInChI=1S/C9H19NOS/c1-8(2)12(11)7-9(3-4-9)5-6-10/h8H,3-7,10H2,1-2H3
InChIKeySLUSIFRWIHKEKB-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine (CID 81329383) is 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine is CC(C)S(=O)CC1(CCN)CC1.
What is the InChIKey of 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
The InChIKey is SLUSIFRWIHKEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)12(11)7-9(3-4-9)5-6-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine?
2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine has a molecular weight of 189.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 81329383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).