1-methylsulfonyl-N-prop-2-enylpropan-2-amine

C7H15NO2S — CID 64629897

IUPAC1-methylsulfonyl-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)CS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-5-8-7(2)6-11(3,9)10/h4,7-8H,1,5-6H2,2-3H3
InChIKeyKNDNZSWPKVGXPT-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.20
Rot. Bonds5

About 1-methylsulfonyl-N-prop-2-enylpropan-2-amine

1-methylsulfonyl-N-prop-2-enylpropan-2-amine (PubChem CID 64629897) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-methylsulfonyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-prop-2-enylpropan-2-amine
PubChem CID64629897
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-methylsulfonyl-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)CS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-5-8-7(2)6-11(3,9)10/h4,7-8H,1,5-6H2,2-3H3
InChIKeyKNDNZSWPKVGXPT-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.20
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 1-methylsulfonyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-prop-2-enylpropan-2-amine (CID 64629897) is 1-methylsulfonyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-prop-2-enylpropan-2-amine is C=CCNC(C)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-prop-2-enylpropan-2-amine?
The InChIKey is KNDNZSWPKVGXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-5-8-7(2)6-11(3,9)10/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 1-methylsulfonyl-N-prop-2-enylpropan-2-amine?
1-methylsulfonyl-N-prop-2-enylpropan-2-amine has a molecular weight of 177.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 64629897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).