2-ethylsulfinyl-N-methylpropan-1-amine

C6H15NOS — CID 54418687

IUPAC2-ethylsulfinyl-N-methylpropan-1-amine
SMILESCCS(=O)C(C)CNC
InChIInChI=1S/C6H15NOS/c1-4-9(8)6(2)5-7-3/h6-7H,4-5H2,1-3H3
InChIKeyIASISNFGEOZXMM-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.36
Rot. Bonds4

About 2-ethylsulfinyl-N-methylpropan-1-amine

2-ethylsulfinyl-N-methylpropan-1-amine (PubChem CID 54418687) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-methylpropan-1-amine
PubChem CID54418687
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-ethylsulfinyl-N-methylpropan-1-amine
SMILESCCS(=O)C(C)CNC
InChIInChI=1S/C6H15NOS/c1-4-9(8)6(2)5-7-3/h6-7H,4-5H2,1-3H3
InChIKeyIASISNFGEOZXMM-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-methylpropan-1-amine?
The IUPAC name of 2-ethylsulfinyl-N-methylpropan-1-amine (CID 54418687) is 2-ethylsulfinyl-N-methylpropan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-N-methylpropan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-N-methylpropan-1-amine is CCS(=O)C(C)CNC.
What is the InChIKey of 2-ethylsulfinyl-N-methylpropan-1-amine?
The InChIKey is IASISNFGEOZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-4-9(8)6(2)5-7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-N-methylpropan-1-amine?
2-ethylsulfinyl-N-methylpropan-1-amine has a molecular weight of 149.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-methylpropan-1-amine is sourced from PubChem (CID 54418687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).