N-methoxy-1-methylsulfanylpropan-2-amine

C5H13NOS — CID 91311061

IUPACN-methoxy-1-methylsulfanylpropan-2-amine
SMILESCONC(C)CSC
InChIInChI=1S/C5H13NOS/c1-5(4-8-3)6-7-2/h5-6H,4H2,1-3H3
InChIKeySHPLBULQTXLADR-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.89
Rot. Bonds4

About N-methoxy-1-methylsulfanylpropan-2-amine

N-methoxy-1-methylsulfanylpropan-2-amine (PubChem CID 91311061) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-methoxy-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methoxy-1-methylsulfanylpropan-2-amine
PubChem CID91311061
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-methoxy-1-methylsulfanylpropan-2-amine
SMILESCONC(C)CSC
InChIInChI=1S/C5H13NOS/c1-5(4-8-3)6-7-2/h5-6H,4H2,1-3H3
InChIKeySHPLBULQTXLADR-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-methoxy-1-methylsulfanylpropan-2-amine (CID 91311061) is N-methoxy-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-methoxy-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-methoxy-1-methylsulfanylpropan-2-amine is CONC(C)CSC.
What is the InChIKey of N-methoxy-1-methylsulfanylpropan-2-amine?
The InChIKey is SHPLBULQTXLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(4-8-3)6-7-2/h5-6H,4H2,1-3H3.
What are the key properties of N-methoxy-1-methylsulfanylpropan-2-amine?
N-methoxy-1-methylsulfanylpropan-2-amine has a molecular weight of 135.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 91311061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).