2-methyl-N-(2-methylsulfinylethyl)propan-1-amine

C7H17NOS — CID 88957214

IUPAC2-methyl-N-(2-methylsulfinylethyl)propan-1-amine
SMILESCC(C)CNCCS(C)=O
InChIInChI=1S/C7H17NOS/c1-7(2)6-8-4-5-10(3)9/h7-8H,4-6H2,1-3H3
InChIKeyAJWSHBICRIALPZ-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.61
Rot. Bonds5

About 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine

2-methyl-N-(2-methylsulfinylethyl)propan-1-amine (PubChem CID 88957214) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfinylethyl)propan-1-amine
PubChem CID88957214
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-methyl-N-(2-methylsulfinylethyl)propan-1-amine
SMILESCC(C)CNCCS(C)=O
InChIInChI=1S/C7H17NOS/c1-7(2)6-8-4-5-10(3)9/h7-8H,4-6H2,1-3H3
InChIKeyAJWSHBICRIALPZ-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine (CID 88957214) is 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine is CC(C)CNCCS(C)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine?
The InChIKey is AJWSHBICRIALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(2)6-8-4-5-10(3)9/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine?
2-methyl-N-(2-methylsulfinylethyl)propan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfinylethyl)propan-1-amine is sourced from PubChem (CID 88957214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).