5-methyl-2-methylsulfonylhex-5-en-3-amine

C8H17NO2S — CID 105004195

IUPAC5-methyl-2-methylsulfonylhex-5-en-3-amine
SMILESC=C(C)CC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6(2)5-8(9)7(3)12(4,10)11/h7-8H,1,5,9H2,2-4H3
InChIKeySYCGGUJJXNPXBG-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.71
Rot. Bonds4

About 5-methyl-2-methylsulfonylhex-5-en-3-amine

5-methyl-2-methylsulfonylhex-5-en-3-amine (PubChem CID 105004195) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 5-methyl-2-methylsulfonylhex-5-en-3-amine.

Molecular Properties

Compound Name5-methyl-2-methylsulfonylhex-5-en-3-amine
PubChem CID105004195
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name5-methyl-2-methylsulfonylhex-5-en-3-amine
SMILESC=C(C)CC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6(2)5-8(9)7(3)12(4,10)11/h7-8H,1,5,9H2,2-4H3
InChIKeySYCGGUJJXNPXBG-UHFFFAOYSA-N
XLogP0.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.71
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 5-methyl-2-methylsulfonylhex-5-en-3-amine?
The IUPAC name of 5-methyl-2-methylsulfonylhex-5-en-3-amine (CID 105004195) is 5-methyl-2-methylsulfonylhex-5-en-3-amine.
What is the SMILES notation for 5-methyl-2-methylsulfonylhex-5-en-3-amine?
The canonical SMILES for 5-methyl-2-methylsulfonylhex-5-en-3-amine is C=C(C)CC(N)C(C)S(C)(=O)=O.
What is the InChIKey of 5-methyl-2-methylsulfonylhex-5-en-3-amine?
The InChIKey is SYCGGUJJXNPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)5-8(9)7(3)12(4,10)11/h7-8H,1,5,9H2,2-4H3.
What are the key properties of 5-methyl-2-methylsulfonylhex-5-en-3-amine?
5-methyl-2-methylsulfonylhex-5-en-3-amine has a molecular weight of 191.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfonylhex-5-en-3-amine is sourced from PubChem (CID 105004195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).