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

C7H17NO2S — CID 60711960

IUPAC2-methyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCC(C)CNCCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2)6-8-4-5-11(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyGTDNYHGOMDBYJX-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.28
Rot. Bonds5

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

2-methyl-N-(2-methylsulfonylethyl)propan-1-amine (PubChem CID 60711960) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylethyl)propan-1-amine
PubChem CID60711960
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-methyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCC(C)CNCCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2)6-8-4-5-11(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyGTDNYHGOMDBYJX-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylsulfonylethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine (CID 60711960) is 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine is CC(C)CNCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
The InChIKey is GTDNYHGOMDBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)6-8-4-5-11(3,9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
2-methyl-N-(2-methylsulfonylethyl)propan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 60711960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).