2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine

C9H19NO2S — CID 79551755

IUPAC2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine
SMILESC=C(C)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)6-10-7-9(3,4)13(5,11)12/h10H,1,6-7H2,2-5H3
InChIKeyCMZHNEVQODVATB-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.98
Rot. Bonds5

About 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine

2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine (PubChem CID 79551755) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine
PubChem CID79551755
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine
SMILESC=C(C)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)6-10-7-9(3,4)13(5,11)12/h10H,1,6-7H2,2-5H3
InChIKeyCMZHNEVQODVATB-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine (CID 79551755) is 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine is C=C(C)CNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is CMZHNEVQODVATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)6-10-7-9(3,4)13(5,11)12/h10H,1,6-7H2,2-5H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine?
2-methyl-N-(2-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.98, 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-methylprop-2-enyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79551755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).