5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride

C8H18ClNO2S — CID 53395510

IUPAC5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
SMILESCC(C)CC(N)C=CS(C)(=O)=O.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H
InChIKeyPVEBAYMGCSDWGH-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.34
Rot. Bonds4

About 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride

5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride (PubChem CID 53395510) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
PubChem CID53395510
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
SMILESCC(C)CC(N)C=CS(C)(=O)=O.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H
InChIKeyPVEBAYMGCSDWGH-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
The IUPAC name of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride (CID 53395510) is 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride.
What is the SMILES notation for 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
The canonical SMILES for 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride is CC(C)CC(N)C=CS(C)(=O)=O.Cl.
What is the InChIKey of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
The InChIKey is PVEBAYMGCSDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H.
What are the key properties of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride is sourced from PubChem (CID 53395510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).