2-cyclopropylsulfinylethanamine

C5H11NOS — CID 58684877

IUPAC2-cyclopropylsulfinylethanamine
SMILESNCCS(=O)C1CC1
InChIInChI=1S/C5H11NOS/c6-3-4-8(7)5-1-2-5/h5H,1-4,6H2
InChIKeyOAMDPVRALKFRJD-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.14
Rot. Bonds3

About 2-cyclopropylsulfinylethanamine

2-cyclopropylsulfinylethanamine (PubChem CID 58684877) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-cyclopropylsulfinylethanamine.

Molecular Properties

Compound Name2-cyclopropylsulfinylethanamine
PubChem CID58684877
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name2-cyclopropylsulfinylethanamine
SMILESNCCS(=O)C1CC1
InChIInChI=1S/C5H11NOS/c6-3-4-8(7)5-1-2-5/h5H,1-4,6H2
InChIKeyOAMDPVRALKFRJD-UHFFFAOYSA-N
XLogP-0.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfinylethanamine?
The IUPAC name of 2-cyclopropylsulfinylethanamine (CID 58684877) is 2-cyclopropylsulfinylethanamine.
What is the SMILES notation for 2-cyclopropylsulfinylethanamine?
The canonical SMILES for 2-cyclopropylsulfinylethanamine is NCCS(=O)C1CC1.
What is the InChIKey of 2-cyclopropylsulfinylethanamine?
The InChIKey is OAMDPVRALKFRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c6-3-4-8(7)5-1-2-5/h5H,1-4,6H2.
What are the key properties of 2-cyclopropylsulfinylethanamine?
2-cyclopropylsulfinylethanamine has a molecular weight of 133.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfinylethanamine is sourced from PubChem (CID 58684877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).